Geometry & MOs

Info

ID:	64978
PubChem CID:	29204284
Reduced:	ON4Cl5H13C18 (1)
Stoich.:	AB4C5D13E18 (1)
Weight, g/mol:	408.031144
ΔH_f, kcal/mol:	23.97
Dipole, Da:	3.35
IP(EA), eV:	-9.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-phenyl-N'-(2,4,6-trichlorophenyl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl)Cl)CC3=CC=CC=C3Cl

DOS

IR

Vibrations