Geometry & MOs

Info

ID:	240394
PubChem CID:	93578157
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	373.205322
ΔH_f, kcal/mol:	-128.18
Dipole, Da:	2.92
IP(EA), eV:	-8.62(0.26)
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-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@H](CN(C[C@@H]2CCCO2)CC3=CC=CO3)O

DOS

IR

Vibrations