Geometry & MOs

Info

ID:	264334
PubChem CID:	103454932
Reduced:	FO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	262.118064
ΔH_f, kcal/mol:	-144.08
Dipole, Da:	4.51
IP(EA), eV:	-9.6(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-4-(trifluoromethyl)phenyl]pentane-1,2-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations