Geometry & MOs

Info

ID:	422005
PubChem CID:	135116997
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	425.187005
ΔH_f, kcal/mol:	14.84
Dipole, Da:	5.09
IP(EA), eV:	-8.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R)-2-benzyl-7-(5-chloropyridin-2-yl)-7-azabicyclo[2.2.1]heptan-2-yl]-(4-hydroxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CC4=CN=CC=C4

DOS

IR

Vibrations