Geometry & MOs

Info

ID:	25357
PubChem CID:	623503
Reduced:	N4O7H8C12 (1)
Stoich.:	A4B7C8D12 (1)
Weight, g/mol:	273.074956
ΔH_f, kcal/mol:	13.86
Dipole, Da:	2.49
IP(EA), eV:	-9.9(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations