Geometry & MOs

Info

ID:	65054
PubChem CID:	29204406
Reduced:	ClION3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	465.01049
ΔH_f, kcal/mol:	9.54
Dipole, Da:	6.7
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(4-iodophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC=C(C=C2)I)Cl

DOS

IR

Vibrations