Geometry & MOs

Info

ID:	335102
PubChem CID:	127253908
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	323.079373
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	7.59
IP(EA), eV:	-8.12(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC2=C1C=C(C=C2OC)OC)C(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4

DOS

IR

Vibrations