Geometry & MOs

Info

ID:	48374
PubChem CID:	10541599
Reduced:	N5C17H17 (1)
Stoich.:	A5B17C17 (1)
Weight, g/mol:	292.097855
ΔH_f, kcal/mol:	108.62
Dipole, Da:	4.47
IP(EA), eV:	-8.66(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,5S)-3-(6-chloropyridin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C#N)N4C2=CC=C4

DOS

IR

Vibrations