Geometry & MOs

Info

ID:	292788
PubChem CID:	117358833
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-128.52
Dipole, Da:	2.6
IP(EA), eV:	-9.55(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-4H-1,3-benzodioxin-7-yl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC(CC1=C(C=C(C=C1)Cl)COC)C(=O)O

DOS

IR

Vibrations