Geometry & MOs

Info

ID:	270861
PubChem CID:	103638453
Reduced:	IO3N4H7C10 (1)
Stoich.:	AB3C4D7E10 (1)
Weight, g/mol:	326.98686
ΔH_f, kcal/mol:	50.09
Dipole, Da:	5.23
IP(EA), eV:	-9.66(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3-methyl-N-(1H-pyrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=NN2)I

DOS

IR

Vibrations