Geometry & MOs

Info

ID:	270860
PubChem CID:	103638452
Reduced:	BrClON3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	357.95629
ΔH_f, kcal/mol:	8.4
Dipole, Da:	5.57
IP(EA), eV:	-9.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Cl)Br)C3=CC=NN3

DOS

IR

Vibrations