Geometry & MOs

Info

ID:	336432
PubChem CID:	127255439
Reduced:	ON3C5H5 (1)
Stoich.:	AB3C5D5 (1)
Weight, g/mol:	216.03017
ΔH_f, kcal/mol:	60.39
Dipole, Da:	3.55
IP(EA), eV:	-10.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chloro-2-methyl-4-oxo-1H-pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1=C(C(=NO1)C#N)CN

DOS

IR

Vibrations