Geometry & MOs

Info

ID:	65252
PubChem CID:	29204670
Reduced:	Cl3O3N4H21C22 (1)
Stoich.:	A3B3C4D21E22 (1)
Weight, g/mol:	480.052274
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	4.97
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations