CCCBDB listing of experimental data page 2

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INChI	INChIKey	SMILES	IUPAC name
InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1,3-4H,2H2	MPOYBFYHRQBZPM-UHFFFAOYNA-N	O=C1CC=NC=C1
InChI=1/C5H5NO/c7-5-1-3-6-4-2-5/h1,3-4H,2H2	MPOYBFYHRQBZPM-UHFFFAOYNA-N	O=C1CC=NC=C1

Bond Type	Count
C-C	3
C=C	1
C-N	1
C=N	1
C=O	1
H-C	5

Atom 1	Atom 2
N1	C2
N1	C6
C2	C3
C2	H8
C3	C4
C3	H9
C3	H12
C4	C5
C4	O7
C5	C6
C5	H10
C6	H11

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	C_s	True							C_s	2	3

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	C_s	True						C_s	2	3

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for C5H5NO (4(3H)-Pryidinone)

Experimental data for C₅H₅NO (4(3H)-Pryidinone)