Geometry & MOs

Info

ID:	260628
PubChem CID:	103198025
Reduced:	ON4C10H16 (1)
Stoich.:	AB4C10D16 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-9.63
Dipole, Da:	2.06
IP(EA), eV:	-9.78(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-2-phenylpropanenitrile

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)CC(C#N)N

DOS

IR

Vibrations