Geometry & MOs

Info

ID:	287591
PubChem CID:	104247881
Reduced:	BrFNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	-49.94
Dipole, Da:	5.37
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)N(C(=O)C=C2)CC3=C(C(=CC=C3)F)Br

DOS

IR

Vibrations