Geometry & MOs

Info

ID:	107
PubChem CID:	2125
Reduced:	IOCl2N4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	554.01371
ΔH_f, kcal/mol:	55.62
Dipole, Da:	4.55
IP(EA), eV:	-8.64(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I

DOS

IR

Vibrations