Geometry & MOs

Info

ID:	410614
PubChem CID:	135083414
Reduced:	Cl2N3H4O4C7 (2)
Stoich.:	A2B3C4D4E7 (2)
Weight, g/mol:	488.025017
ΔH_f, kcal/mol:	27.93
Dipole, Da:	7.38
IP(EA), eV:	-10.4(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])N(CCN(C2=C(C=C(C=C2Cl)Cl)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)Cl

DOS

IR

Vibrations