Geometry & MOs

Info

ID:	260545
PubChem CID:	103194771
Reduced:	FON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	351.09462
ΔH_f, kcal/mol:	-67.77
Dipole, Da:	4.66
IP(EA), eV:	-9.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations