Geometry & MOs

Info

ID:	260532
PubChem CID:	103194628
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	279.11384
ΔH_f, kcal/mol:	-15.39
Dipole, Da:	5.57
IP(EA), eV:	-8.81(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)-3-chlorophenyl]-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=CC=C(C=C3)CN

DOS

IR

Vibrations