Geometry & MOs

Info

ID:	4806
PubChem CID:	12068
Reduced:	N3O4H5C6 (1)
Stoich.:	A3B4C5D6 (1)
Weight, g/mol:	183.028006
ΔH_f, kcal/mol:	15.78
Dipole, Da:	6.48
IP(EA), eV:	-9.82(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dinitroaniline

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N

DOS

IR

Vibrations