Geometry & MOs

Info

ID:	42297
PubChem CID:	8149408
Reduced:	NO2C23H32 (1)
Stoich.:	AB2C23D32 (1)
Weight, g/mol:	353.235479
ΔH_f, kcal/mol:	-44.28
Dipole, Da:	1.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754690
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(S)-(4-methylphenyl)-phenylmethoxy]-3-[(2R)-2-methylpiperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[NH+]1C[C@@H](CO[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)C)O

DOS

IR

Vibrations