Geometry & MOs

Info

ID:	8679
PubChem CID:	80163
Reduced:	BrO2N3C6H8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	232.97999
ΔH_f, kcal/mol:	17.97
Dipole, Da:	5.03
IP(EA), eV:	-10.3(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethyl)-2-methyl-5-nitroimidazole

Drug info:

PubChemData

Smile

CC1=NC=C(N1CCBr)[N+](=O)[O-]

DOS

IR

Vibrations