Geometry & MOs

Info

ID:	378625
PubChem CID:	134224718
Reduced:	OS2F3N3C11H14 (1)
Stoich.:	AB2C3D3E11F14 (1)
Weight, g/mol:	322.215747
ΔH_f, kcal/mol:	-140.76
Dipole, Da:	3.87
IP(EA), eV:	-8.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

CS1(CS1)C2=NNC3=C2CCN(C3)C(=O)CC(F)(F)F

DOS

IR

Vibrations