Geometry & MOs

Info

ID:	436198
PubChem CID:	135194711
Reduced:	ClN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	324.127406
ΔH_f, kcal/mol:	43.65
Dipole, Da:	8.55
IP(EA), eV:	-9.54(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8a-(4-fluorophenyl)-2,5,5-trimethyl-1,6-dioxo-3H-isoquinoline-7-carbonitrile

Drug info:

PubChemData

Smile

CC1(C2=CCN(C(=O)C2(C=C(C1=O)C#N)C3=CC=C(C=C3)Cl)C)C

DOS

IR

Vibrations