Geometry & MOs

Info

ID:	65254
PubChem CID:	29204673
Reduced:	Cl2O3N4C23H24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	488.138196
ΔH_f, kcal/mol:	-58.49
Dipole, Da:	4.49
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(2,4-dichlorophenoxy)butanoyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NNC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations