Geometry & MOs

Info

ID:	334414
PubChem CID:	127252966
Reduced:	ClNO6H20C21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	343.105587
ΔH_f, kcal/mol:	-173.39
Dipole, Da:	6.63
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC4=CC=CO4

DOS

IR

Vibrations