Geometry & MOs

Info

ID:	410608
PubChem CID:	135083408
Reduced:	N3O4C8H8 (2)
Stoich.:	A3B4C8D8 (2)
Weight, g/mol:	549.963873
ΔH_f, kcal/mol:	33.4
Dipole, Da:	8.35
IP(EA), eV:	-10.35(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4,6-dinitrophenyl)-N-[2-(2-chloro-N,4,6-trinitroanilino)ethyl]nitramide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations