Geometry & MOs

Info

ID:	7000
PubChem CID:	70951
Reduced:	N2O3H4C5 (1)
Stoich.:	A2B3C4D5 (1)
Weight, g/mol:	140.022192
ΔH_f, kcal/mol:	-98.43
Dipole, Da:	3.17
IP(EA), eV:	-10.51(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioxo-1H-pyrimidine-6-carbaldehyde

Drug info:

PubChemData

Smile

C1=C(NC(=O)NC1=O)C=O

DOS

IR

Vibrations