Geometry & MOs

Info

ID:	39777
PubChem CID:	8142243
Reduced:	O7C21H26 (1)
Stoich.:	A7B21C26 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-235.42
Dipole, Da:	3.83
IP(EA), eV:	-8.27(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-diethoxyphenyl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC

DOS

IR

Vibrations