Geometry & MOs

Info

ID:	48059
PubChem CID:	10536884
Reduced:	OC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	5.17
IP(EA), eV:	-9.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-(1,3-benzodioxol-5-yl)pent-4-enoic acid

Drug info:

PubChemData

Smile

C1[C@@H](COC1=O)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations