Geometry & MOs

Info

ID:	265854
PubChem CID:	103554765
Reduced:	BrN3O4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-20.07
Dipole, Da:	7.32
IP(EA), eV:	-9.08(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethyl-5-nitroimidazol-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(N1C)OC2=C(C=C(C=C2)OC)Br)[N+](=O)[O-]

DOS

IR

Vibrations