Geometry & MOs

Info

ID:	294987
PubChem CID:	117510772
Reduced:	BrO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	328.06741
ΔH_f, kcal/mol:	-139.28
Dipole, Da:	6.74
IP(EA), eV:	-8.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C(=C1)OC)CC(C)(C)C(=O)O)Br

DOS

IR

Vibrations