Geometry & MOs

Info

ID:	5412
PubChem CID:	13120
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-27.97
Dipole, Da:	5.17
IP(EA), eV:	-8.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C([C@@H]3CC4CCN3CC4C=C)O

DOS

IR

Vibrations