Geometry & MOs

Info

ID:	294855
PubChem CID:	117500539
Reduced:	BrO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	-129.69
Dipole, Da:	3.97
IP(EA), eV:	-9.39(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-bromo-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC(=CC(=C1)Br)OCC2CC2)O

DOS

IR

Vibrations