Geometry & MOs

Info

ID:	133800
PubChem CID:	51590799
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	60.43
Dipole, Da:	1.36
IP(EA), eV:	-8.88(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]furan-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CC2=CC=CC=N2)C3=NC(=NC=C3C4=CC=NC=C4)N5CCOCC5

DOS

IR

Vibrations