Geometry & MOs

Info

ID:	157841
PubChem CID:	56437564
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-130.0
Dipole, Da:	8.93
IP(EA), eV:	-8.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC(C#N)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations