Geometry & MOs

Info

ID:	200628
PubChem CID:	79416990
Reduced:	O3C10H20 (1)
Stoich.:	A3B10C20 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-162.7
Dipole, Da:	3.25
IP(EA), eV:	-9.72(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-(3-methylphenyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(C)C(CC(COC)O)C(=O)C

DOS

IR

Vibrations