Geometry & MOs

Info

ID:	8687
PubChem CID:	80257
Reduced:	NO2C3H3 (2)
Stoich.:	AB2C3D3 (2)
Weight, g/mol:	170.032757
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	4.76
IP(EA), eV:	-10.49(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dioxo-1H-pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=O)NC(=O)N1

DOS

IR

Vibrations