Geometry & MOs

Info

ID:	264349
PubChem CID:	103456480
Reduced:	FOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	228.116173
ΔH_f, kcal/mol:	-188.5
Dipole, Da:	1.02
IP(EA), eV:	-9.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methoxyphenyl)-3-methylbutane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(C(C(C)C)O)O)F

DOS

IR

Vibrations