Geometry & MOs

Info

ID:	260531
PubChem CID:	103194606
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-8.13
Dipole, Da:	5.79
IP(EA), eV:	-9.27(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C3=C(C=CC=N3)CN

DOS

IR

Vibrations