Geometry & MOs

Info

ID:	191665
PubChem CID:	78174389
Reduced:	BrO3N4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	322.083268
ΔH_f, kcal/mol:	-30.3
Dipole, Da:	6.98
IP(EA), eV:	-9.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-6-oxodiazinan-4-yl)hydrazinylidene]-4-phenylbut-2-enoic acid

Drug info:

PubChemData

Smile

C1C(C(C(=O)NN1)Br)NN=C(C=CC(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations