Geometry & MOs

Info

ID:	132690
PubChem CID:	51402150
Reduced:	ON3C8H13 (2)
Stoich.:	AB3C8D13 (2)
Weight, g/mol:	354.07261
ΔH_f, kcal/mol:	1.45
Dipole, Da:	5.86
IP(EA), eV:	-9.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[2-(2-nitrobenzoyl)hydrazinyl]-3,4-dioxo-1-phenylbut-1-en-1-olate

Drug info:

PubChemData

Smile

CC(C)(C)C1C(=O)N(C2=NN=CN2N1)/N=C\C3CCCCC3OC

DOS

IR

Vibrations