Geometry & MOs

Info

ID:	391723
PubChem CID:	135008944
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	398.235814
ΔH_f, kcal/mol:	-169.74
Dipole, Da:	5.2
IP(EA), eV:	-9.9(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(2-methylphenyl)methyl]-6-methoxyquinoline

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2C=CC[C@@H]3[C@H]2C(=O)N(C3=O)C

DOS

IR

Vibrations