Geometry & MOs

Info

ID:	64982
PubChem CID:	29204291
Reduced:	Cl3N3O4C15H16 (1)
Stoich.:	A3B3C4D15E16 (1)
Weight, g/mol:	410.004872
ΔH_f, kcal/mol:	-95.38
Dipole, Da:	3.79
IP(EA), eV:	-9.63(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations