Geometry & MOs

Info

ID:	264331
PubChem CID:	103454533
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	264.097329
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	4.23
IP(EA), eV:	-9.0(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(trifluoromethoxy)phenyl]pentane-2,3-diol

Drug info:

PubChemData

Smile

CCC(C(C1=CC=C(C=C1)OC2CC2)O)O

DOS

IR

Vibrations