Geometry & MOs

Info

ID:	411738
PubChem CID:	135084572
Reduced:	OSN5H39C41 (1)
Stoich.:	ABC5D39E41 (1)
Weight, g/mol:	486.230728
ΔH_f, kcal/mol:	113.06
Dipole, Da:	3.62
IP(EA), eV:	-8.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(S)-anthracen-9-yloxy-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]quinolin-6-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@H](C3C[C@@H]4CCN3C[C@H]4C=C)NC(=S)NC5=C(C6=CC=CC=C6C=C5)C7=C(C=CC8=CC=CC=C87)N

DOS

IR

Vibrations