Geometry & MOs

Info

ID:	17600
PubChem CID:	507095
Reduced:	FON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	342.18559
ΔH_f, kcal/mol:	-31.84
Dipole, Da:	10.31
IP(EA), eV:	-10.05(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCNC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)F)C#N

DOS

IR

Vibrations