Geometry & MOs

Info

ID:	294475
PubChem CID:	117462853
Reduced:	BrO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	286.02046
ΔH_f, kcal/mol:	-135.6
Dipole, Da:	6.31
IP(EA), eV:	-9.18(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)CC(C)(C)C(=O)O)O

DOS

IR

Vibrations