Geometry & MOs

Info

ID:	64996
PubChem CID:	29204310
Reduced:	Cl3N3O3H14C17 (1)
Stoich.:	A3B3C3D14E17 (1)
Weight, g/mol:	467.031872
ΔH_f, kcal/mol:	-71.5
Dipole, Da:	2.39
IP(EA), eV:	-8.83(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N'-(2,4,6-trichlorophenyl)benzohydrazide

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2N(C1=O)CC(=O)NNC3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations