Geometry & MOs

Info

ID:	198711
PubChem CID:	79139996
Reduced:	O3N5C10H11 (1)
Stoich.:	A3B5C10D11 (1)
Weight, g/mol:	370.97669
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	4.26
IP(EA), eV:	-9.39(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1=C(NN=C1)CC(=O)NC2=CN(N=C2)CC(=O)O

DOS

IR

Vibrations