Geometry & MOs

Info

ID:	260577
PubChem CID:	103196011
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	6.41
Dipole, Da:	3.13
IP(EA), eV:	-9.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(CN(C2=O)CC3=CC=NC4=CC=CC=C34)NC1

DOS

IR

Vibrations