Geometry & MOs

Info

ID:	21589
PubChem CID:	589096
Reduced:	OC4H4 (3)
Stoich.:	AB4C4 (3)
Weight, g/mol:	204.078644
ΔH_f, kcal/mol:	-83.2
Dipole, Da:	3.79
IP(EA), eV:	-9.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methoxypropan-2-ylidene)-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CC(=C1C2=CC=CC=C2OC1=O)COC

DOS

IR

Vibrations