Geometry & MOs

Info

ID:	57512
PubChem CID:	22400357
Reduced:	O2Br3F4H15C19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	241.044046
ΔH_f, kcal/mol:	-220.28
Dipole, Da:	5.43
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-1-azabicyclo[3.3.1]non-3-en-3-yl)-1,2,5-thiadiazole

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(C2=CC(=C(C=C2)OCC=C(Br)Br)Br)(C(F)(F)F)F

DOS

IR

Vibrations