Geometry & MOs

Info

ID:	30832
PubChem CID:	841984
Reduced:	ON6C15H18 (1)
Stoich.:	AB6C15D18 (1)
Weight, g/mol:	183.064391
ΔH_f, kcal/mol:	62.52
Dipole, Da:	5.27
IP(EA), eV:	-8.96(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-oxolan-2-yl]-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)[C@@H]2C(=C(OC3=NNC(=C23)C)N)C#N)C

DOS

IR

Vibrations