Geometry & MOs

Info

ID:	227170
PubChem CID:	87560418
Reduced:	N3O3C8H11 (2)
Stoich.:	A3B3C8D11 (2)
Weight, g/mol:	443.257277
ΔH_f, kcal/mol:	-150.86
Dipole, Da:	3.99
IP(EA), eV:	-9.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-methoxyquinolin-4-yl)-2-[3-[[(E)-3-phenylprop-2-enyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]ethanol

Drug info:

PubChemData

Smile

CN(C=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N[C@@H]4CCOC4)O)O

DOS

IR

Vibrations