Geometry & MOs

Info

ID:	426525
PubChem CID:	135144664
Reduced:	ClBr2O2N5C17H24 (1)
Stoich.:	AB2C2D5E17F24 (1)
Weight, g/mol:	484.92879
ΔH_f, kcal/mol:	-8.64
Dipole, Da:	12.07
IP(EA), eV:	-8.89(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dibromo-4-nitro-2-piperazin-1-ylbenzimidazol-1-yl)ethanol;hydrochloride

Drug info:

PubChemData

Smile

CC(C)CN1C2=CC(=C(C(=C2N=C1NC3CCCNCC3)[N+](=O)[O-])Br)Br.Cl

DOS

IR

Vibrations