Geometry & MOs

Info

ID:	417680
PubChem CID:	135102487
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-33.45
Dipole, Da:	3.24
IP(EA), eV:	-8.71(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[(8-methoxyquinolin-2-yl)methyl]-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CC3=NOC(=N3)C4CCCO4

DOS

IR

Vibrations