Geometry & MOs

Info

ID:

387785

PubChem CID:

134986917

Reduced:

N2O2C9H15 (1)

Stoich.:

A2B2C9D15 (1)

Weight, g/mol:

228.126263

ΔHf, kcal/mol:

-55.48

Dipole, Da:

3.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.872203

Charge, e:

 0

Chem-info

IUPAC name:

6-methyl-3-phenyl-5-propan-2-yl-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

CCOC1=NC(=[N+](C=C1)C)OCC

DOS

IR

Vibrations