Geometry & MOs

Info

ID:	305044
PubChem CID:	124766459
Reduced:	NOC23H31 (1)
Stoich.:	ABC23D31 (1)
Weight, g/mol:	337.240565
ΔH_f, kcal/mol:	-28.14
Dipole, Da:	2.37
IP(EA), eV:	-9.03(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5R,6S)-4-butyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol

Drug info:

PubChemData

Smile

CCCCC1([C@@H]([C@@H](N[C@H]([C@H]1C)C2=CC=CC=C2)C3=CC=CC=C3)C)O

DOS

IR

Vibrations