Geometry & MOs

Info

ID:	240529
PubChem CID:	93581323
Reduced:	NO4C27H27 (1)
Stoich.:	AB4C27D27 (1)
Weight, g/mol:	417.170686
ΔH_f, kcal/mol:	-69.72
Dipole, Da:	4.29
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@H](CN(CC2=CC=CC3=CC=CC=C32)CC4=CC=CO4)O

DOS

IR

Vibrations