Geometry & MOs

Info

ID:	22169
PubChem CID:	596146
Reduced:	O3H7C9 (2)
Stoich.:	A3B7C9 (2)
Weight, g/mol:	326.079038
ΔH_f, kcal/mol:	-190.85
Dipole, Da:	7.48
IP(EA), eV:	-10.37(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-methoxycarbonylphenyl)-3-oxo-1H-2-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2C3=C(C=C(C=C3)C(=O)OC)C(=O)O2

DOS

IR

Vibrations