Geometry & MOs

Info

ID:	188446
PubChem CID:	77719091
Reduced:	BrClON3C20H25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	406.05421
ΔH_f, kcal/mol:	-31.4
Dipole, Da:	6.34
IP(EA), eV:	-8.5(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-ylidene)-7-iodoquinolin-8-one

Drug info:

PubChemData

Smile

CC(C1CCCN1C2=CC=CC=C2)N(C)C(=O)CC3=CC(=CN=C3)Br.Cl

DOS

IR

Vibrations