Geometry & MOs

Info

ID:	83892
PubChem CID:	49862256
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	295.168462
ΔH_f, kcal/mol:	64.98
Dipole, Da:	4.63
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[(1R,5R,6S)-3-azabicyclo[3.2.1]octan-6-yl]oxy]phenyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CN1C(=CC=C1C2=CC3=C(C=C2)/C(=N\O)/CCC3)C#N

DOS

IR

Vibrations