Geometry & MOs

Info

ID:	144736
PubChem CID:	53404902
Reduced:	NO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	187.063329
ΔH_f, kcal/mol:	-90.47
Dipole, Da:	12.89
IP(EA), eV:	-10.04(-3.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-hydroxy-1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC1C(=C(N(C(=C1C(=O)[O-])C2CCCC2)CC)C3CCCC3)C(=O)[O-]

DOS

IR

Vibrations