Geometry & MOs

Info

ID:	151542
PubChem CID:	53837775
Reduced:	NO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	409.12782
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	3.71
IP(EA), eV:	-10.13(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C(=O)C#N)O

DOS

IR

Vibrations