Geometry & MOs

Info

ID:	166516
PubChem CID:	74703842
Reduced:	O4N6C23H38 (1)
Stoich.:	A4B6C23D38 (1)
Weight, g/mol:	477.318929
ΔH_f, kcal/mol:	-139.06
Dipole, Da:	5.72
IP(EA), eV:	-9.22(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(1-cyclohexyltetrazol-5-yl)-(4-hydroxypiperidin-1-ium-1-yl)methyl]-6,7-dimethoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

COC1CC2CC(C(=O)NC2CC1OC)C(C3=NN=NN3C4CCCC4)N5CCC(CC5)O

DOS

IR

Vibrations