Geometry & MOs

Info

ID:	260590
PubChem CID:	103196411
Reduced:	BrON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	291.174691
ΔH_f, kcal/mol:	-20.65
Dipole, Da:	3.91
IP(EA), eV:	-9.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)Br)N2CCCC3C2CNC3=O)N

DOS

IR

Vibrations