Geometry & MOs

Info

ID:

182603

PubChem CID:

76912765

Reduced:

O2N4C14H15 (1)

Stoich.:

A2B4C14D15 (1)

Weight, g/mol:

282.046299

ΔHf, kcal/mol:

25.2

Dipole, Da:

0.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.895817

Charge, e:

 0

Chem-info

IUPAC name:

6-(5-methyl-1-benzofuran-2-yl)-4aH-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C(=NC2CC2C3=CC=CC=C3)N=[N+](C1=O)C

DOS

IR

Vibrations