Geometry & MOs

Info

ID:	424488
PubChem CID:	135122870
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	351.137162
ΔH_f, kcal/mol:	-60.34
Dipole, Da:	2.95
IP(EA), eV:	-9.67(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-5-(1-phenyl-2H-pyridin-2-yl)-1H-pyridin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CCCOC(=O)C1=NC=CN1C

DOS

IR

Vibrations