Geometry & MOs

Info

ID:	369690
PubChem CID:	127335024
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	48.84
Dipole, Da:	5.69
IP(EA), eV:	-9.71(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]piperidin-2-one

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=CC=C(C=C3)OC4=NC=C(C=C4)C#N)O

DOS

IR

Vibrations