Geometry & MOs

Info

ID:	28227
PubChem CID:	826402
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	293.181336
ΔH_f, kcal/mol:	-59.47
Dipole, Da:	1.19
IP(EA), eV:	-9.03(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-[3-(dimethylamino)propyl]-2-phenylsulfanylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=CC=C1)N[C@@H]2CCOC(C2)(C)C

DOS

IR

Vibrations