Geometry & MOs

Info

ID:	397697
PubChem CID:	135030588
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	556.308979
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	1.79
IP(EA), eV:	-9.26(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[benzyl-[[3-[[benzyl-[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenyl]methyl]amino]-2-phenylethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CO)NCC2=CC(=CC=C2)CN[C@@H](CO)C3=CC=CC=C3

DOS

IR

Vibrations