Geometry & MOs

Info

ID:	190701
PubChem CID:	78044173
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	-101.48
Dipole, Da:	1.06
IP(EA), eV:	-9.82(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-quinolin-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-one

Drug info:

PubChemData

Smile

C1COC(CC1CC(=O)N2CC(C2)C#N)C(=O)N

DOS

IR

Vibrations