Geometry & MOs

Info

ID:	260528
PubChem CID:	103194518
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	327.03825
ΔH_f, kcal/mol:	-17.55
Dipole, Da:	6.07
IP(EA), eV:	-8.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)N2CCCC3C2CNC3=O)N

DOS

IR

Vibrations