Geometry & MOs

Info

ID:	287572
PubChem CID:	104247436
Reduced:	NF3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	318.03678
ΔH_f, kcal/mol:	-152.04
Dipole, Da:	4.36
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-amino-6-bromophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

Drug info:

PubChemData

Smile

C1CC2CCC(NC2C1)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations