Geometry & MOs

Info

ID:	347728
PubChem CID:	127272790
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	233.071975
ΔH_f, kcal/mol:	20.96
Dipole, Da:	3.36
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC3=NC=NC4=C3C=CN4

DOS

IR

Vibrations