Geometry & MOs

Info

ID:	294201
PubChem CID:	117434729
Reduced:	ClO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	272.00481
ΔH_f, kcal/mol:	-134.12
Dipole, Da:	3.81
IP(EA), eV:	-8.75(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C=C1CCCO)Cl)OC)OC

DOS

IR

Vibrations