Geometry & MOs

Info

ID:	15936
PubChem CID:	455679
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-49.6
Dipole, Da:	7.44
IP(EA), eV:	-9.72(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-2-butoxy-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCOC1=NC(=O)C=C(N1)CC2=CC=CC=C2

DOS

IR

Vibrations