Geometry & MOs

Info

ID:	292867
PubChem CID:	117362128
Reduced:	F2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	244.091101
ΔH_f, kcal/mol:	-199.85
Dipole, Da:	2.08
IP(EA), eV:	-8.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CCC=O)OC)C(F)F

DOS

IR

Vibrations