Geometry & MOs

Info

ID:	423066
PubChem CID:	135118865
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	384.241293
ΔH_f, kcal/mol:	-109.0
Dipole, Da:	5.52
IP(EA), eV:	-9.22(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-4-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-3-phenylmorpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CS(=O)(=O)CCN1C[C@H]([C@@H](C1)O)CC2=CC=CC=N2

DOS

IR

Vibrations