Geometry & MOs

Info

ID:	293827
PubChem CID:	117404185
Reduced:	F2O5H10C11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	260.066029
ΔH_f, kcal/mol:	-264.29
Dipole, Da:	8.2
IP(EA), eV:	-9.36(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propanal

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)C(F)F)C(=O)C(=O)O

DOS

IR

Vibrations