Geometry & MOs

Info

ID:	287571
PubChem CID:	104247347
Reduced:	BrN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	269.139134
ΔH_f, kcal/mol:	18.55
Dipole, Da:	2.46
IP(EA), eV:	-8.36(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

Drug info:

PubChemData

Smile

C1CC2=C(C1)N=C(C=C2)N3CCC(C3)Br

DOS

IR

Vibrations