Geometry & MOs

Info

ID:	253123
PubChem CID:	103116194
Reduced:	O3N4C12H12 (1)
Stoich.:	A3B4C12D12 (1)
Weight, g/mol:	260.09094
ΔH_f, kcal/mol:	-57.25
Dipole, Da:	3.92
IP(EA), eV:	-8.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=C(C=C2)N)C(=O)O

DOS

IR

Vibrations