Geometry & MOs

Info

ID:	133417
PubChem CID:	51524397
Reduced:	ON3H10C17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	262.070205
ΔH_f, kcal/mol:	131.89
Dipole, Da:	2.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.338691
Charge, e:	-2

Chem-info

IUPAC name:

2-methyl-5-[(2-methyl-4-oxido-6-oxo-1H-pyrimidin-5-yl)methyl]-6-oxo-1H-pyrimidin-4-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=N[O-])C3=C2

DOS

IR

Vibrations