Geometry & MOs

Info

ID:	155263
PubChem CID:	56324722
Reduced:	FN4O5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	360.087685
ΔH_f, kcal/mol:	-103.56
Dipole, Da:	4.27
IP(EA), eV:	-8.96(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[cyano-(3,4,5-trimethoxyphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)F

DOS

IR

Vibrations