Geometry & MOs

Info

ID:	125041
PubChem CID:	50907843
Reduced:	O2Cl3N3H22C24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	475.06211
ΔH_f, kcal/mol:	-18.22
Dipole, Da:	4.52
IP(EA), eV:	-9.35(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-piperidin-1-ylethane-1,2-dione

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C(=O)C(=O)N2CCCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations