Geometry & MOs

Info

ID:

130

PubChem CID:

2163

Reduced:

N2O3C11H17 (1)

Stoich.:

A2B3C11D17 (1)

Weight, g/mol:

225.123917

ΔHf, kcal/mol:

-104.99

Dipole, Da:

3.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765972

Charge, e:

 -1

Chem-info

IUPAC name:

5-ethyl-5-(3-methylbutyl)-2,6-dioxopyrimidin-4-olate

Drug info:

PubChemData

Smile

CCC1(C(=O)NC(=O)N=C1[O-])CCC(C)C

DOS

IR

Vibrations