Geometry & MOs

Info

ID:	48011
PubChem CID:	10536413
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	-144.72
Dipole, Da:	2.35
IP(EA), eV:	-8.69(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-2-hydroxycyclohexyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)OC)OC

DOS

IR

Vibrations