Geometry & MOs

Info

ID:	440160
PubChem CID:	135230069
Reduced:	N3C23H39 (1)
Stoich.:	A3B23C39 (1)
Weight, g/mol:	385.345698
ΔH_f, kcal/mol:	90.27
Dipole, Da:	3.93
IP(EA), eV:	-8.12(2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-azabicyclo[2.2.2]octan-1-ylmethyl)-8a-methyl-6-(1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-quinoline

Drug info:

PubChemData

Smile

CC12CCC(N1)CC(C2)CC34CC(C3)CN4CC56CCC(CC5)CCN6

DOS

IR

Vibrations