Geometry & MOs

Info

ID:	9517
PubChem CID:	90486
Reduced:	OC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-120.82
Dipole, Da:	2.06
IP(EA), eV:	-8.96(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations