Geometry & MOs

Info

ID:	260593
PubChem CID:	103196467
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	-21.48
Dipole, Da:	5.61
IP(EA), eV:	-9.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1N2CCCC3C2CNC3=O)N

DOS

IR

Vibrations