Geometry & MOs

Info

ID:	45747
PubChem CID:	10517260
Reduced:	NO4C15H27 (1)
Stoich.:	AB4C15D27 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	-127.86
Dipole, Da:	1.89
IP(EA), eV:	-9.37(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CCCCONC[C@H]1[C@H]([C@@H](CO1)OCC=C)OCC=C

DOS

IR

Vibrations