Geometry & MOs

Info

ID:	334425
PubChem CID:	127252977
Reduced:	OC4H4 (6)
Stoich.:	AB4C4 (6)
Weight, g/mol:	339.110673
ΔH_f, kcal/mol:	-174.3
Dipole, Da:	4.1
IP(EA), eV:	-8.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)CC1CC(=O)OC2=C1C3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C=C4)OC)OC)/O3

DOS

IR

Vibrations