Geometry & MOs

Info

ID:	431360
PubChem CID:	135171435
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	296.04986
ΔH_f, kcal/mol:	-125.02
Dipole, Da:	3.87
IP(EA), eV:	-9.35(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-8-[4-(4-chloroimidazol-1-yl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CCCC1C(CCCN1C(=O)CC)C(=O)NC

DOS

IR

Vibrations