Geometry & MOs

Info

ID:	201689
PubChem CID:	79569297
Reduced:	NOC15H25 (1)
Stoich.:	ABC15D25 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-25.21
Dipole, Da:	3.26
IP(EA), eV:	-8.74(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-3-[2-(2-oxocyclopentyl)ethyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)CCN(CC2CC2)CC3CC3

DOS

IR

Vibrations