Geometry & MOs

Info

ID:	64983
PubChem CID:	29204294
Reduced:	OCl4N4C15H16 (1)
Stoich.:	AB4C4D15E16 (1)
Weight, g/mol:	458.004872
ΔH_f, kcal/mol:	-11.2
Dipole, Da:	4.86
IP(EA), eV:	-9.36(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N'-(2,4,6-trichlorophenyl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl)Cl

DOS

IR

Vibrations