Geometry & MOs

Info

ID:	395967
PubChem CID:	135027038
Reduced:	OSN3H15C19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	349.078203
ΔH_f, kcal/mol:	95.11
Dipole, Da:	5.37
IP(EA), eV:	-8.81(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(8-chloroquinolin-2-yl)-1-(2-fluorophenyl)ethyl]propanedinitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(C=C2)CC(C3=CC=CS3)C(C#N)C#N

DOS

IR

Vibrations