Geometry & MOs

Info

ID:	191664
PubChem CID:	78174388
Reduced:	ClON5C13H14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	366.03275
ΔH_f, kcal/mol:	78.04
Dipole, Da:	11.02
IP(EA), eV:	-8.37(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=NNC2=CN=NC(=O)C2Cl

DOS

IR

Vibrations