Geometry & MOs

Info

ID:	62169
PubChem CID:	26717845
Reduced:	N3O5H17C21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	321.111341
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	6.34
IP(EA), eV:	-8.66(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-N-naphthalen-1-yl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations