Geometry & MOs

Info

ID:	185960
PubChem CID:	77373837
Reduced:	Cl2N3O4H39C42 (1)
Stoich.:	A2B3C4D39E42 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	1.68
IP(EA), eV:	-8.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-N-propyl-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1CC(C=C2C1CC3=C(N(C4=CC=CC2=C34)CC5=CC=CC=C5)OC)C(=O)N(CCC(=O)C6=CC(=CC=C6)Cl)CCC(=O)C7=CC(=CC=C7)Cl

DOS

IR

Vibrations