Geometry & MOs

Info

ID:	65255
PubChem CID:	29204674
Reduced:	Cl2O3N4C24H26 (1)
Stoich.:	A2B3C4D24E26 (1)
Weight, g/mol:	498.042852
ΔH_f, kcal/mol:	-68.75
Dipole, Da:	3.89
IP(EA), eV:	-8.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NNC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations