Geometry & MOs

Info

ID:	268064
PubChem CID:	103597617
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-46.14
Dipole, Da:	3.05
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC(=C)C)C(=O)C=CC1=CC(=CC=C1)OC

DOS

IR

Vibrations