Geometry & MOs

Info

ID:	228144
PubChem CID:	87563524
Reduced:	O3C8H16 (1)
Stoich.:	A3B8C16 (1)
Weight, g/mol:	291.100777
ΔH_f, kcal/mol:	-144.56
Dipole, Da:	1.09
IP(EA), eV:	-9.82(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-oxo-2-[4-(1H-pyridin-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-1H-pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)C.CC(=O)C.C=O

DOS

IR

Vibrations