Geometry & MOs

Info

ID:	320797
PubChem CID:	126663494
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	252.07212
ΔH_f, kcal/mol:	77.68
Dipole, Da:	2.75
IP(EA), eV:	-8.54(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzothiophen-2-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C2=C(C(=NC=C2)NC)C=C

DOS

IR

Vibrations