Geometry & MOs

Info

ID:	399223
PubChem CID:	135038876
Reduced:	BrClC17H20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	124.112624
ΔH_f, kcal/mol:	12.13
Dipole, Da:	3.12
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-indol-1-ium

Drug info:

PubChemData

Smile

CCCC/C(=C/1\CCC\C1=C(/C2=CC=CC=C2)\Br)/Cl

DOS

IR

Vibrations