Geometry & MOs

Info

ID:	17601
PubChem CID:	507096
Reduced:	FON4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	272.107339
ΔH_f, kcal/mol:	-5.22
Dipole, Da:	11.28
IP(EA), eV:	-10.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)F)C#N

DOS

IR

Vibrations