Geometry & MOs

Info

ID:	295534
PubChem CID:	117532537
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	245.080041
ΔH_f, kcal/mol:	1.44
Dipole, Da:	4.18
IP(EA), eV:	-8.71(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-oxo-4-pyridin-4-yl-1H-pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=NC=C(C(=N3)N)CN

DOS

IR

Vibrations