Geometry & MOs

Info

ID:	5771
PubChem CID:	13759
Reduced:	N3O4H11C13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	273.074956
ΔH_f, kcal/mol:	23.79
Dipole, Da:	9.11
IP(EA), eV:	-9.64(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2,4-dinitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations