Geometry & MOs

Info

ID:	449079
PubChem CID:	135295890
Reduced:	ClPO5N7C17H27 (1)
Stoich.:	ABC5D7E17F27 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-232.74
Dipole, Da:	7.75
IP(EA), eV:	-8.97(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6R)-6-ethylmorpholin-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CN(C[C@H](O3)CO[P@@](=O)(N(C)C)Cl)C

DOS

IR

Vibrations