Geometry & MOs

Info

ID:	287590
PubChem CID:	104247852
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	321.01645
ΔH_f, kcal/mol:	-103.52
Dipole, Da:	4.4
IP(EA), eV:	-8.42(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(CCN1C2=C(CCC2)C=CC1=O)O

DOS

IR

Vibrations