Geometry & MOs

Info

ID:	362197
PubChem CID:	127307210
Reduced:	SO3N4C18H28 (1)
Stoich.:	AB3C4D18E28 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-112.96
Dipole, Da:	3.18
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-pyridin-4-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CSC(=N2)NC(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations