Geometry & MOs

Info

ID:	54729
PubChem CID:	17389169
Reduced:	ClFON2H10C16 (1)
Stoich.:	ABCD2E10F16 (1)
Weight, g/mol:	294.111676
ΔH_f, kcal/mol:	3.9
Dipole, Da:	5.63
IP(EA), eV:	-9.75(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N'-[(E)-(2-oxonaphthalen-1-ylidene)methyl]pyrazole-3-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\2/C(=O)N=C(N2)C3=CC(=CC=C3)F)Cl

DOS

IR

Vibrations