Geometry & MOs

Info

ID:	79766
PubChem CID:	49830291
Reduced:	ON4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	271.99491
ΔH_f, kcal/mol:	28.84
Dipole, Da:	3.18
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-phenyl-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1CN(CCC1O)C2=NC=NC3=C2C(=CN3)C4=CC=CC=C4

DOS

IR

Vibrations