Geometry & MOs

Info

ID:	334
PubChem CID:	2606
Reduced:	NOC4H5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	-12.24
Dipole, Da:	2.29
IP(EA), eV:	-9.52(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C#CCOC(=O)C1CNC=NC1

DOS

IR

Vibrations