Geometry & MOs

Info

ID:	209443
PubChem CID:	80673463
Reduced:	NOBr2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	321.01466
ΔH_f, kcal/mol:	-27.93
Dipole, Da:	3.6
IP(EA), eV:	-8.87(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN(CCBr)C2CCCC2)Br

DOS

IR

Vibrations