Geometry & MOs

Info

ID:	198948
PubChem CID:	79177352
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-90.53
Dipole, Da:	3.5
IP(EA), eV:	-9.55(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbut-3-en-1-one

Drug info:

PubChemData

Smile

CC(=C)CC(=O)C1CCCOC1

DOS

IR

Vibrations