Geometry & MOs

Info

ID:	369663
PubChem CID:	127334993
Reduced:	SN2O2C23H30 (1)
Stoich.:	AB2C2D23E30 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	3.25
IP(EA), eV:	-9.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)N4C5CCC4CC(C5)O

DOS

IR

Vibrations