Geometry & MOs

Info

ID:	387228
PubChem CID:	134984504
Reduced:	ClN5H6C8O9 (1)
Stoich.:	AB5C6D8E9 (1)
Weight, g/mol:	429.85827
ΔH_f, kcal/mol:	-13.89
Dipole, Da:	3.87
IP(EA), eV:	-11.24(-2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dibromo-N,6-dinitroanilino)ethyl nitrate

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])N(CCO[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations