Geometry & MOs

Info

ID:	270862
PubChem CID:	103638454
Reduced:	ION3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	330.96179
ΔH_f, kcal/mol:	40.96
Dipole, Da:	6.67
IP(EA), eV:	-9.03(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-iodo-N-(1H-pyrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=NN2)I

DOS

IR

Vibrations