Geometry & MOs

Info

ID:	128613
PubChem CID:	51052235
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	408.132136
ΔH_f, kcal/mol:	-120.39
Dipole, Da:	15.21
IP(EA), eV:	-8.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)N2C=C(C3=C2C(CC(=O)N3)C4=CN=CC=C4)C(=O)O

DOS

IR

Vibrations