Geometry & MOs

Info

ID:	62864
PubChem CID:	26737369
Reduced:	NO2C20H40 (1)
Stoich.:	AB2C20D40 (1)
Weight, g/mol:	325.298079
ΔH_f, kcal/mol:	-133.38
Dipole, Da:	0.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755285
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]([C@H](C1)OC[C@H](C[NH+]2[C@H](CCC[C@@H]2C)C)O)C(C)C

DOS

IR

Vibrations