Geometry & MOs

Info

ID:	207074
PubChem CID:	80342580
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-8.62
Dipole, Da:	1.86
IP(EA), eV:	-8.59(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(C1=CC(=NC=C1)N2CCC3=CC=CC=C3CC2)O

DOS

IR

Vibrations