Geometry & MOs

Info

ID:	134499
PubChem CID:	51706721
Reduced:	NO3H13C14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-165.69
Dipole, Da:	5.86
IP(EA), eV:	-8.35(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)OC)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6

DOS

IR

Vibrations