Geometry & MOs

Info

ID:	260567
PubChem CID:	103195448
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-48.62
Dipole, Da:	3.99
IP(EA), eV:	-9.12(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations