Geometry & MOs

Info

ID:	293828
PubChem CID:	117404234
Reduced:	F3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	260.066029
ΔH_f, kcal/mol:	-250.24
Dipole, Da:	6.32
IP(EA), eV:	-9.21(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)C(F)(F)F)CCC=O

DOS

IR

Vibrations