Geometry & MOs

Info

ID:	28228
PubChem CID:	826403
Reduced:	NOSC17H27 (1)
Stoich.:	ABCD17E27 (1)
Weight, g/mol:	293.181336
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	2.8
IP(EA), eV:	-8.56(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCC[C@]1(CCCC[C@H]1SC2=CC=CC=C2)O

DOS

IR

Vibrations