Geometry & MOs

Info

ID:	39685
PubChem CID:	8141900
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	406.152872
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	3.26
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations