Geometry & MOs

Info

ID:	410620
PubChem CID:	135083420
Reduced:	Cl2N6O8H12C15 (1)
Stoich.:	A2B6C8D12E15 (1)
Weight, g/mol:	434.118612
ΔH_f, kcal/mol:	28.32
Dipole, Da:	7.24
IP(EA), eV:	-10.22(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methyl-N,2-dinitroanilino)propyl]-N-(4-methyl-2-nitrophenyl)nitramide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)[N+](=O)[O-])N(CCCN(C2=C(C=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations