Geometry & MOs

Info

ID:	71003
PubChem CID:	48414167
Reduced:	ClION3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	374.96354
ΔH_f, kcal/mol:	23.9
Dipole, Da:	5.41
IP(EA), eV:	-9.72(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(C=C(C=C2)Cl)I

DOS

IR

Vibrations