Geometry & MOs

Info

ID:	320462
PubChem CID:	126661291
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	380.165541
ΔH_f, kcal/mol:	41.69
Dipole, Da:	4.63
IP(EA), eV:	-8.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C=C)\C(CC#N)N)/C(=O)NC1=CC=CC=C1

DOS

IR

Vibrations