Geometry & MOs

Info

ID:	410612
PubChem CID:	135083412
Reduced:	ON2C7H12 (1)
Stoich.:	AB2C7D12 (1)
Weight, g/mol:	514.015515
ΔH_f, kcal/mol:	20.14
Dipole, Da:	5.3
IP(EA), eV:	-9.25(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chloro-4-methanimidoyl-N,6-dinitroanilino)ethyl]-N-(4-chloro-2-methanimidoyl-6-nitrophenyl)nitramide

Drug info:

PubChemData

Smile

C[N+](=NC1=CCCCC1)[O-]

DOS

IR

Vibrations