Geometry & MOs

Info

ID:

173609

PubChem CID:

75662105

Reduced:

N2O2C7H7 (1)

Stoich.:

A2B2C7D7 (1)

Weight, g/mol:

165.066403

ΔHf, kcal/mol:

11.99

Dipole, Da:

1.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.894600

Charge, e:

 -1

Chem-info

IUPAC name:

5-(2-methylprop-2-enyl)-6-oxo-5H-pyrimidin-4-olate

Drug info:

PubChemData

Smile

C=CCC1C(=NC=NC1=O)[O-]

DOS

IR

Vibrations