Geometry & MOs

Info

ID:	240416
PubChem CID:	93578306
Reduced:	FNO3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	373.205322
ΔH_f, kcal/mol:	-144.93
Dipole, Da:	3.19
IP(EA), eV:	-8.89(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(3-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC=CC=C3F)O

DOS

IR

Vibrations