Geometry & MOs

Info

ID:	240533
PubChem CID:	93581328
Reduced:	FNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	401.200237
ΔH_f, kcal/mol:	-177.76
Dipole, Da:	4.01
IP(EA), eV:	-9.22(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC=C(C=C3)F)O

DOS

IR

Vibrations