Geometry & MOs

Info

ID:	320485
PubChem CID:	126661357
Reduced:	NOC21H21 (1)
Stoich.:	ABC21D21 (1)
Weight, g/mol:	360.220164
ΔH_f, kcal/mol:	14.03
Dipole, Da:	6.44
IP(EA), eV:	-9.38(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-butyl-3-[5-cyano-2-methyl-3-(4-methylphenyl)phenyl]-2-methylbut-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations