Geometry & MOs

Info

ID:	174090
PubChem CID:	75722319
Reduced:	ClN3O5C28H30 (1)
Stoich.:	AB3C5D28E30 (1)
Weight, g/mol:	506.197235
ΔH_f, kcal/mol:	-90.59
Dipole, Da:	5.06
IP(EA), eV:	-8.83(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N(C2=CC=CC=C2Cl)C(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations