Geometry & MOs

Info

ID:	53457
PubChem CID:	14716094
Reduced:	FON2C24H27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	434.258086
ΔH_f, kcal/mol:	-29.01
Dipole, Da:	0.28
IP(EA), eV:	-8.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-butoxyethyl)-2-[4-(2-fluorooctoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C3=CC(=C(C=C3)OCC)F

DOS

IR

Vibrations