Geometry & MOs

Info

ID:	336229
PubChem CID:	127255236
Reduced:	FOSN6H11C12 (1)
Stoich.:	ABCD6E11F12 (1)
Weight, g/mol:	328.080769
ΔH_f, kcal/mol:	35.78
Dipole, Da:	7.74
IP(EA), eV:	-9.71(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)SC(=N2)NC(=O)CCCN3C=NN=N3

DOS

IR

Vibrations