Geometry & MOs

Info

ID:	83773
PubChem CID:	49861255
Reduced:	ClNOC20H26 (1)
Stoich.:	ABCD20E26 (1)
Weight, g/mol:	500.09968
ΔH_f, kcal/mol:	-56.82
Dipole, Da:	4.61
IP(EA), eV:	-9.07(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[(3-bromophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=C(C=C2)O)CCCC3=CC=CC=C3.Cl

DOS

IR

Vibrations