Geometry & MOs

Info

ID:	128478
PubChem CID:	51045960
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	-11.38
Dipole, Da:	5.25
IP(EA), eV:	-8.45(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(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(=C(C=C2)C)C

DOS

IR

Vibrations