Geometry & MOs

Info

ID:	410609
PubChem CID:	135083409
Reduced:	ClH4N4O6C7 (2)
Stoich.:	AB4C4D6E7 (2)
Weight, g/mol:	315.121906
ΔH_f, kcal/mol:	45.35
Dipole, Da:	5.18
IP(EA), eV:	-11.07(-2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-N-[4-(4-nitrophenyl)phenyl]nitramide

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])N(CCN(C2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-]

DOS

IR

Vibrations