Geometry & MOs

Info

ID:	179805
PubChem CID:	76534226
Reduced:	ClN3O4C10H12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	301.082934
ΔH_f, kcal/mol:	-129.22
Dipole, Da:	5.76
IP(EA), eV:	-9.79(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-chloro-4-morpholin-4-yl-6-oxo-5H-pyrimidin-2-yl)acetate

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=O)C2Cl)CC(=O)O

DOS

IR

Vibrations