Geometry & MOs

Info

ID:	220965
PubChem CID:	85248012
Reduced:	OC17H28 (1)
Stoich.:	AB17C28 (1)
Weight, g/mol:	248.00481
ΔH_f, kcal/mol:	-52.16
Dipole, Da:	4.14
IP(EA), eV:	-9.19(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

CC(C)CC=C(CC=C(C)CCC=C(C)C)C=O

DOS

IR

Vibrations