Geometry & MOs

Info

ID:	292781
PubChem CID:	117358637
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-124.21
Dipole, Da:	2.28
IP(EA), eV:	-8.84(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C1=C(C2=C(C=C1)OCCCO2)Cl)O

DOS

IR

Vibrations