Geometry & MOs

Info

ID:	241227
PubChem CID:	96022139
Reduced:	BrNF2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	278.068926
ΔH_f, kcal/mol:	-81.68
Dipole, Da:	1.99
IP(EA), eV:	-9.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]-1H-pyridine-2-thione

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)CBr

DOS

IR

Vibrations