Geometry & MOs

Info

ID:

85386

PubChem CID:

49874659

Reduced:

ClON3C9H11 (1)

Stoich.:

ABC3D9E11 (1)

Weight, g/mol:

267.121906

ΔHf, kcal/mol:

14.24

Dipole, Da:

4.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750070

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-(2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)N)N(C1=O)C.[Cl-]

DOS

IR

Vibrations