Geometry & MOs

Info

ID:	431412
PubChem CID:	135171487
Reduced:	FH23C30 (1)
Stoich.:	AB23C30 (1)
Weight, g/mol:	419.90781
ΔH_f, kcal/mol:	89.26
Dipole, Da:	2.93
IP(EA), eV:	-8.63(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C2(C4=CC5=C(CC5)C=C4)C6=CC7=C(CC7)C=C6)C=C(C=C3)F

DOS

IR

Vibrations