Geometry & MOs

Info

ID:	341507
PubChem CID:	127264200
Reduced:	BrClNSH7C8 (1)
Stoich.:	ABCDE7F8 (1)
Weight, g/mol:	169.046983
ΔH_f, kcal/mol:	5.06
Dipole, Da:	3.55
IP(EA), eV:	-8.79(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C=C(S2)N.Cl

DOS

IR

Vibrations