Geometry & MOs

Info

ID:	320904
PubChem CID:	126664225
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	341.199094
ΔH_f, kcal/mol:	-35.28
Dipole, Da:	0.54
IP(EA), eV:	-9.12(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-[[(1S)-1-phenylethyl]amino]-1-phenylmethoxycyclohexane-1,3-diol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N[C@@H]2CC[C@H](C=C2O)OCC3=CC=CC=C3

DOS

IR

Vibrations