Geometry & MOs

Info

ID:	186887
PubChem CID:	77501125
Reduced:	Cl2O3N6H16C19 (1)
Stoich.:	A2B3C6D16E19 (1)
Weight, g/mol:	259.097521
ΔH_f, kcal/mol:	6.53
Dipole, Da:	5.43
IP(EA), eV:	-9.31(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-chloro-5-methyl-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C)C)C(=O)N=N1)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C(N3)C#N)Cl

DOS

IR

Vibrations