Geometry & MOs

Info

ID:	81555
PubChem CID:	49854859
Reduced:	ClN4O4C18H19 (1)
Stoich.:	AB4C4D18E19 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	5.34
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(6-morpholin-4-yl-4-oxo-1H-pyrimidin-2-yl)acetate

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N=C(N2)CC(=O)N3CCOC4=C3C=CC=C4Cl

DOS

IR

Vibrations