Geometry & MOs

Info

ID:	8470
PubChem CID:	78145
Reduced:	O2H3N3C5 (1)
Stoich.:	A2B3C3D5 (1)
Weight, g/mol:	137.022526
ΔH_f, kcal/mol:	-39.33
Dipole, Da:	5.2
IP(EA), eV:	-10.66(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioxo-1H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1)C#N

DOS

IR

Vibrations