Geometry & MOs

Info

ID:	424102
PubChem CID:	135121322
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	5.33
IP(EA), eV:	-8.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC=C2C(=O)O)CN[C@H]3CN4CCC3CC4

DOS

IR

Vibrations