Geometry & MOs

Info

ID:	131262
PubChem CID:	51183284
Reduced:	FN3O4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	395.104812
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	9.38
IP(EA), eV:	-9.09(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N(C)CC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations