Geometry & MOs

Info

ID:	126413
PubChem CID:	50964085
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	228.137497
ΔH_f, kcal/mol:	-18.75
Dipole, Da:	7.88
IP(EA), eV:	-8.5(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1C2=CC=CN2CCN1C(=O)C3=CN=C4C=CC=C(N4C3=O)C

DOS

IR

Vibrations