Geometry & MOs

Info

ID:	410618
PubChem CID:	135083418
Reduced:	N8H12O12C15 (1)
Stoich.:	A8B12C12D15 (1)
Weight, g/mol:	458.093459
ΔH_f, kcal/mol:	48.54
Dipole, Da:	3.63
IP(EA), eV:	-11.3(-2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations