Geometry & MOs

Info

ID:	37721
PubChem CID:	8023639
Reduced:	FN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-137.68
Dipole, Da:	1.12
IP(EA), eV:	-8.37(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2F

DOS

IR

Vibrations