Geometry & MOs

Info

ID:	375949
PubChem CID:	134221946
Reduced:	O9C11H22 (1)
Stoich.:	A9B11C22 (1)
Weight, g/mol:	234.086764
ΔH_f, kcal/mol:	-413.4
Dipole, Da:	4.17
IP(EA), eV:	-10.31(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxypropyl)-3-methyl-6-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

COC1C(C(OC1OCC(C(C(CO)O)O)O)CO)O

DOS

IR

Vibrations