Geometry & MOs

Info

ID:	431370
PubChem CID:	135171445
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	373.96037
ΔH_f, kcal/mol:	-167.98
Dipole, Da:	3.19
IP(EA), eV:	-9.75(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CC[C@](O1)(CC(=C)C)O)O

DOS

IR

Vibrations