Geometry & MOs

Info

ID:	410621
PubChem CID:	135083421
Reduced:	N6O8C17H18 (1)
Stoich.:	A6B8C17D18 (1)
Weight, g/mol:	563.979523
ΔH_f, kcal/mol:	27.61
Dipole, Da:	13.03
IP(EA), eV:	-10.45(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4,6-dinitrophenyl)-N-[3-(2-chloro-N,4,6-trinitroanilino)propyl]nitramide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations