Geometry & MOs

Info

ID:	334496
PubChem CID:	127253171
Reduced:	N3O6H17C25 (1)
Stoich.:	A3B6C17D25 (1)
Weight, g/mol:	341.089937
ΔH_f, kcal/mol:	-41.39
Dipole, Da:	2.41
IP(EA), eV:	-8.43(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5=NC(=NO5)C6=CC=CO6)OC

DOS

IR

Vibrations