Geometry & MOs

Info

ID:	425182
PubChem CID:	135125452
Reduced:	ClSF2O2N5H16C19 (1)
Stoich.:	ABC2D2E5F16G19 (1)
Weight, g/mol:	164.131349
ΔH_f, kcal/mol:	-61.32
Dipole, Da:	3.31
IP(EA), eV:	-9.58(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)/C=C(/C3=C(C=C(C=N3)C#N)Cl)\F)F

DOS

IR

Vibrations