Geometry & MOs

Info

ID:	240395
PubChem CID:	93578159
Reduced:	FNO3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	375.186815
ΔH_f, kcal/mol:	-142.43
Dipole, Da:	4.17
IP(EA), eV:	-8.68(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-methylphenoxy)-3-[(3-methylthiophen-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations