Geometry & MOs

Info

ID:	225011
PubChem CID:	85735511
Reduced:	F3N4H7C13 (1)
Stoich.:	A3B4C7D13 (1)
Weight, g/mol:	302.069629
ΔH_f, kcal/mol:	-34.43
Dipole, Da:	8.48
IP(EA), eV:	-10.21(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(7-chloroquinolin-4-yl)-1,3-dimethyl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=C(N=C1C2=CC(=CC=C2)C(F)(F)F)C#N)C#N

DOS

IR

Vibrations