Geometry & MOs

Info

ID:	13280
PubChem CID:	224830
Reduced:	OC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-128.17
Dipole, Da:	4.33
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2CCOC2=O)O

DOS

IR

Vibrations