Geometry & MOs

Info

ID:	391920
PubChem CID:	135010992
Reduced:	BrNC9H15 (1)
Stoich.:	ABC9D15 (1)
Weight, g/mol:	377.108565
ΔH_f, kcal/mol:	8.79
Dipole, Da:	3.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.961895
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole

Drug info:

PubChemData

Smile

C/C=C\1/[CH]C(C(N1C)(C)C)Br

DOS

IR

Vibrations