Geometry & MOs

Info

ID:	260627
PubChem CID:	103198011
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-36.4
Dipole, Da:	6.37
IP(EA), eV:	-9.05(1.07)
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)propanenitrile

Drug info:

PubChemData

Smile

CCCNC(CN1CCCC(C1)C(=O)NC)C#N

DOS

IR

Vibrations