Geometry & MOs

Info

ID:	260548
PubChem CID:	103194820
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	277.15904
ΔH_f, kcal/mol:	-23.52
Dipole, Da:	4.18
IP(EA), eV:	-8.62(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-1-(4-fluorophenyl)ethyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)CCC3=CC=CC=C3N

DOS

IR

Vibrations