Geometry & MOs

Info

ID:	260550
PubChem CID:	103194851
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	-62.38
Dipole, Da:	3.22
IP(EA), eV:	-8.63(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)CC(C3=CC=CC=C3N)O

DOS

IR

Vibrations