Geometry & MOs

Info

ID:	65253
PubChem CID:	29204671
Reduced:	Cl3O3N4H19C21 (1)
Stoich.:	A3B3C4D19E21 (1)
Weight, g/mol:	474.122546
ΔH_f, kcal/mol:	-45.12
Dipole, Da:	3.87
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3,5-dimethylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations