Geometry & MOs

Info

ID:	62168
PubChem CID:	26717840
Reduced:	ClN3O5H16C21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	391.116821
ΔH_f, kcal/mol:	-64.29
Dipole, Da:	4.89
IP(EA), eV:	-8.69(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 4-(methylamino)-3-nitrobenzoate

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

DOS

IR

Vibrations