Geometry & MOs

Info

ID:	165466
PubChem CID:	74552983
Reduced:	NC6H14 (1)
Stoich.:	AB6C14 (1)
Weight, g/mol:	352.215565
ΔH_f, kcal/mol:	29.11
Dipole, Da:	2.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754131
Charge, e:	1

Chem-info

IUPAC name:

[4-[(2-chlorophenyl)methyl]-1-[(1-ethylimidazolidin-1-ium-2-yl)methyl]piperidin-4-yl]methanol

Drug info:

PubChemData

Smile

CC(C[NH3+])C1CC1

DOS

IR

Vibrations