Geometry & MOs

Info

ID:	336459
PubChem CID:	127255466
Reduced:	BrH17C25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	396.89631
ΔH_f, kcal/mol:	109.72
Dipole, Da:	1.59
IP(EA), eV:	-8.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-iodo-1-phenylindole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5Br

DOS

IR

Vibrations