Geometry & MOs

Info

ID:	260551
PubChem CID:	103194852
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	4.67
IP(EA), eV:	-8.09(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(CN)N2CCCC3C2CNC3=O

DOS

IR

Vibrations