Geometry & MOs

Info

ID:	240725
PubChem CID:	93617203
Reduced:	SO3N4C15H24 (1)
Stoich.:	AB3C4D15E24 (1)
Weight, g/mol:	282.149891
ΔH_f, kcal/mol:	-78.94
Dipole, Da:	4.31
IP(EA), eV:	-9.16(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chlorophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC(=NN1[C@H]2CCS(=O)(=O)C2)C)C3CC3

DOS

IR

Vibrations