Geometry & MOs

Info

ID:	225522
PubChem CID:	85852706
Reduced:	FH4C5 (6)
Stoich.:	AB4C5 (6)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-218.48
Dipole, Da:	1.05
IP(EA), eV:	-9.44(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-5H-1,3-benzodioxin-4-ol

Drug info:

PubChemData

Smile

CCCC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C3=CC(=C(C=C3)C4=C(C(=C(C=C4)CCC)F)F)F)F)F)F

DOS

IR

Vibrations