Geometry & MOs

Info

ID:	407547
PubChem CID:	135080294
Reduced:	FNO2C7H8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	224.157643
ΔH_f, kcal/mol:	-88.5
Dipole, Da:	3.68
IP(EA), eV:	-11.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylphenyl)-2-fluoro-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1C#N)F

DOS

IR

Vibrations