Geometry & MOs

Info

ID:	62860
PubChem CID:	26737310
Reduced:	NO3C22H28 (1)
Stoich.:	AB3C22D28 (1)
Weight, g/mol:	307.193614
ΔH_f, kcal/mol:	-72.19
Dipole, Da:	3.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.129319
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,6R)-1-methyl-2,6-diphenyl-3-propylpiperidin-4-one

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@H]([NH2+][C@H](CC1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations