Geometry & MOs

Info

ID:	292868
PubChem CID:	117362150
Reduced:	F2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	244.091101
ΔH_f, kcal/mol:	-209.35
Dipole, Da:	4.57
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CO)C1=C2C(=CC(=C1)C(F)F)OCO2

DOS

IR

Vibrations