Geometry & MOs

Info

ID:	166929
PubChem CID:	74756915
Reduced:	OSN3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	268.07009
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	5.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756974
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-bromophenyl)methyl]-2-methylpiperidin-1-ium

Drug info:

PubChemData

Smile

CC1CC(C[NH+](C1)C(C)C(=O)NC2=NC=CS2)C

DOS

IR

Vibrations