Geometry & MOs

Info

ID:	292252
PubChem CID:	114546683
Reduced:	SN3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	274.07537
ΔH_f, kcal/mol:	9.43
Dipole, Da:	4.38
IP(EA), eV:	-8.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-6-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione

Drug info:

PubChemData

Smile

CC1CCC(C1)NC2=C(C=C3CCCC3=N2)C(=S)N

DOS

IR

Vibrations