Geometry & MOs

Info

ID:	65006
PubChem CID:	29204324
Reduced:	N2Cl3O4H13C16 (1)
Stoich.:	A2B3C4D13E16 (1)
Weight, g/mol:	426.021722
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	6.07
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)C(=O)NNC3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations