Geometry & MOs

Info

ID:	382119
PubChem CID:	134973063
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	1.46
IP(EA), eV:	-9.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5S,6S)-4-benzyl-6-(hydroxymethyl)-5-phenylmorpholin-2-yl]methanol

Drug info:

PubChemData

Smile

C1[C@@H](O1)CN(CC2=CC=CC=C2)[C@@H](C3=CC=CC=C3)[C@@H](CO)O

DOS

IR

Vibrations