Geometry & MOs

Info

ID:	240446
PubChem CID:	93579727
Reduced:	FNO3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	387.220972
ΔH_f, kcal/mol:	-87.45
Dipole, Da:	2.8
IP(EA), eV:	-8.8(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(4-ethylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-fluorophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC2=CC=CO2)C[C@H](COC3=CC=CC=C3F)O

DOS

IR

Vibrations