Geometry & MOs

Info

ID:	191947
PubChem CID:	78207584
Reduced:	O2N6H8C11 (1)
Stoich.:	A2B6C8D11 (1)
Weight, g/mol:	316.117155
ΔH_f, kcal/mol:	87.9
Dipole, Da:	9.29
IP(EA), eV:	-9.83(-2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione

Drug info:

PubChemData

Smile

CNC(=O)C(=NNC1=CC2=NC(=O)N=C2C=C1)C#N

DOS

IR

Vibrations