Geometry & MOs

Info

ID:	410615
PubChem CID:	135083415
Reduced:	ClN3O4H7C8 (2)
Stoich.:	AB3C4D7E8 (2)
Weight, g/mol:	532.032316
ΔH_f, kcal/mol:	18.87
Dipole, Da:	2.48
IP(EA), eV:	-10.24(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2,6-dinitrophenyl)-N-[2-(4-cyano-N,2,6-trinitroanilino)ethyl]nitramide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)N(CCN(C2=C(C=C(C=C2C)Cl)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations