Geometry & MOs

Info

ID:	174103
PubChem CID:	75724683
Reduced:	ClN2O4C31H37 (1)
Stoich.:	AB2C4D31E37 (1)
Weight, g/mol:	480.181585
ΔH_f, kcal/mol:	-128.74
Dipole, Da:	3.38
IP(EA), eV:	-8.34(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-chlorophenyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)C(C1=CC(=C(C=C1)OC)OC)N(C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations