Geometry & MOs

Info

ID:	35125
PubChem CID:	7979350
Reduced:	NO2C23H32 (1)
Stoich.:	AB2C23D32 (1)
Weight, g/mol:	353.235479
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	1.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754567
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC[NH+](C1)C[C@@H](CO[C@@H](C2=CC=CC=C2)C3=CC=CC=C3C)O

DOS

IR

Vibrations