Geometry & MOs

Info

ID:	369699
PubChem CID:	127335039
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-123.71
Dipole, Da:	3.98
IP(EA), eV:	-9.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC=CC=C2)C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations