Geometry & MOs

Info

ID:	15938
PubChem CID:	455696
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	6.65
IP(EA), eV:	-9.34(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-5-ethyl-2-propan-2-yloxy-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=C(NC(=NC1=O)OC(C)C)CC2=CC=CC=C2

DOS

IR

Vibrations