Geometry & MOs

Info

ID:	7358
PubChem CID:	72244
Reduced:	ClON2H11C17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	294.055991
ΔH_f, kcal/mol:	57.13
Dipole, Da:	4.64
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorobenzoyl)-2H-quinoline-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(N2C(=O)C3=CC=C(C=C3)Cl)C#N

DOS

IR

Vibrations