Geometry & MOs

Info

ID:	264315
PubChem CID:	103453860
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-120.22
Dipole, Da:	3.7
IP(EA), eV:	-9.18(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxypentan-1-one

Drug info:

PubChemData

Smile

CCCC(C(=O)C1=CC=C(C=C1)OCC)O

DOS

IR

Vibrations