Geometry & MOs

Info

ID:	133372
PubChem CID:	51516915
Reduced:	ClO2N5H9C12 (1)
Stoich.:	AB2C5D9E12 (1)
Weight, g/mol:	273.098765
ΔH_f, kcal/mol:	40.47
Dipole, Da:	2.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.893484
Charge, e:	-1

Chem-info

IUPAC name:

(5E)-5-[1-(2-methyl-2-phenylhydrazinyl)ethylidene]-4,6-dioxo-1H-pyrimidin-2-olate

Drug info:

PubChemData

Smile

C1[C@H](N2C(=NC=N2)N=C1[O-])C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations