Geometry & MOs

Info

ID:	257695
PubChem CID:	103148044
Reduced:	BrNOF4C12H14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	274.129298
ΔH_f, kcal/mol:	-236.31
Dipole, Da:	1.0
IP(EA), eV:	-9.7(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Br)CC(CCOCC(F)(F)F)N

DOS

IR

Vibrations