Geometry & MOs

Info

ID:	65027
PubChem CID:	29204352
Reduced:	SCl3N4O4C17H19 (1)
Stoich.:	AB3C4D4E17F19 (1)
Weight, g/mol:	379.999844
ΔH_f, kcal/mol:	-161.3
Dipole, Da:	3.1
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSCC(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations