Geometry & MOs

Info

ID:	410617
PubChem CID:	135083417
Reduced:	N4O6H7C8 (2)
Stoich.:	A4B6C7D8 (2)
Weight, g/mol:	496.057468
ΔH_f, kcal/mol:	38.41
Dipole, Da:	8.33
IP(EA), eV:	-10.59(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dinitrophenyl)-N-[3-(N,2,4-trinitroanilino)propyl]nitramide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations