Geometry & MOs

Info

ID:	13279
PubChem CID:	224829
Reduced:	O2H5C6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	218.057909
ΔH_f, kcal/mol:	-110.23
Dipole, Da:	5.52
IP(EA), eV:	-9.07(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one

Drug info:

PubChemData

Smile

C1COC(=O)C1=CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations