Geometry & MOs

Info

ID:	292789
PubChem CID:	117358844
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-128.04
Dipole, Da:	1.93
IP(EA), eV:	-8.92(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CO)C1=C(C=C2COCOC2=C1)Cl

DOS

IR

Vibrations