Geometry & MOs

Info

ID:	340571
PubChem CID:	127262582
Reduced:	ClNO3C7H14 (1)
Stoich.:	ABC3D7E14 (1)
Weight, g/mol:	268.121178
ΔH_f, kcal/mol:	-178.98
Dipole, Da:	2.75
IP(EA), eV:	-9.7(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4,6-dimethoxypyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@H](CCN1)O.Cl

DOS

IR

Vibrations