Geometry & MOs

Info

ID:	128480
PubChem CID:	51045983
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	39.95
Dipole, Da:	7.04
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(2,5-dimethylphenyl)-3-oxoprop-1-enyl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)/C=C/NC2=CC=CC(=C2)C#N

DOS

IR

Vibrations