Geometry & MOs

Info

ID:	128522
PubChem CID:	51048526
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	338.072513
ΔH_f, kcal/mol:	-24.75
Dipole, Da:	2.07
IP(EA), eV:	-8.92(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-1-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCC4=CC=CC=C4

DOS

IR

Vibrations