Geometry & MOs

Info

ID:	411263
PubChem CID:	135084076
Reduced:	BrOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	242.061076
ΔH_f, kcal/mol:	16.46
Dipole, Da:	4.09
IP(EA), eV:	-10.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-2-chloro-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C=C=CCCC1(C=CC(=O)C=C1)CCBr

DOS

IR

Vibrations