Geometry & MOs

Info

ID:	20728
PubChem CID:	585393
Reduced:	O5C14H16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	264.099774
ΔH_f, kcal/mol:	-186.18
Dipole, Da:	2.28
IP(EA), eV:	-8.87(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1,3-benzodioxol-5-ylmethyl)-3-oxobutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations