Geometry & MOs

Info

ID:	426524
PubChem CID:	135144663
Reduced:	Br2O2N5C13H15 (1)
Stoich.:	A2B2C5D13E15 (1)
Weight, g/mol:	524.99648
ΔH_f, kcal/mol:	59.0
Dipole, Da:	11.27
IP(EA), eV:	-9.15(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azepan-4-yl)-5,6-dibromo-1-(2-methylpropyl)-4-nitrobenzimidazol-2-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)N1C2=CC(=C(C(=C2N=C1NC3CNC3)[N+](=O)[O-])Br)Br

DOS

IR

Vibrations