Geometry & MOs

Info

ID:	240510
PubChem CID:	93581170
Reduced:	NO7C26H31 (1)
Stoich.:	AB7C26D31 (1)
Weight, g/mol:	417.170686
ΔH_f, kcal/mol:	-199.93
Dipole, Da:	2.34
IP(EA), eV:	-8.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2S)-3-[(4-chlorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OC[C@@H](CN(CC2=CC=CO2)CC3=CC(=C(C(=C3)OC)OC)OC)O

DOS

IR

Vibrations