Geometry & MOs

Info

ID:	255667
PubChem CID:	103133915
Reduced:	ClFNOH9C16 (1)
Stoich.:	ABCDE9F16 (1)
Weight, g/mol:	262.110613
ΔH_f, kcal/mol:	-7.32
Dipole, Da:	6.5
IP(EA), eV:	-9.57(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylpyridin-3-yl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=C(C(=CC=C3)F)Cl

DOS

IR

Vibrations