Geometry & MOs

Info

ID:	280520
PubChem CID:	103849729
Reduced:	NSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	274.136908
ΔH_f, kcal/mol:	-121.93
Dipole, Da:	8.11
IP(EA), eV:	-8.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)ethanol

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CCOC1=C(C=C(C=C1)C#N)OC

DOS

IR

Vibrations