Geometry & MOs

Info

ID:	224855
PubChem CID:	85484373
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	444.1902
ΔH_f, kcal/mol:	-117.61
Dipole, Da:	3.69
IP(EA), eV:	-8.35(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(4-bromophenyl)-6-methyl-2-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC(=O)NC23CC4CC(C2)CC(C4)C3)OC

DOS

IR

Vibrations