Geometry & MOs

Info

ID:	17603
PubChem CID:	507098
Reduced:	FO2N4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	274.086604
ΔH_f, kcal/mol:	-40.39
Dipole, Da:	9.68
IP(EA), eV:	-10.23(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenyl)-2-(2-hydroxyethylamino)-4-oxo-1H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NCCO)C#N)F

DOS

IR

Vibrations