Geometry & MOs

Info

ID:	16398
PubChem CID:	466871
Reduced:	ClON2H13C21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	344.071641
ΔH_f, kcal/mol:	70.92
Dipole, Da:	3.01
IP(EA), eV:	-8.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorobenzoyl)-3H-benzo[f]quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC(N3C(=O)C4=CC=C(C=C4)Cl)C#N

DOS

IR

Vibrations