Geometry & MOs

Info

ID:	261600
PubChem CID:	103241659
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	4.58
IP(EA), eV:	-9.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-dimethylbutoxy)-2-ethyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCCOCCOC1=CC(=O)NC(=N1)C2CC2

DOS

IR

Vibrations