Geometry & MOs

Info

ID:	260547
PubChem CID:	103194815
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	3.04
Dipole, Da:	4.58
IP(EA), eV:	-9.01(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(CN)N2CCCC3C2CNC3=O

DOS

IR

Vibrations