Geometry & MOs

Info

ID:	175326
PubChem CID:	75883316
Reduced:	ClN2O2H15C21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	462.134635
ΔH_f, kcal/mol:	34.12
Dipole, Da:	7.72
IP(EA), eV:	-9.17(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C#N)C2=C(C=C(C=C2)NC(=O)C=CC3=CC=CO3)Cl

DOS

IR

Vibrations