Geometry & MOs

Info

ID:	253202
PubChem CID:	103116756
Reduced:	N4O5H10C12 (1)
Stoich.:	A4B5C10D12 (1)
Weight, g/mol:	370.97669
ΔH_f, kcal/mol:	-57.88
Dipole, Da:	7.69
IP(EA), eV:	-10.32(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-2-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations