Geometry & MOs

Info

ID:

399337

PubChem CID:

135039724

Reduced:

ClN2H4C6 (1)

Stoich.:

AB2C4D6 (1)

Weight, g/mol:

331.00303

ΔHf, kcal/mol:

71.62

Dipole, Da:

2.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.900273

Charge, e:

 0

Chem-info

IUPAC name:

5-bromo-3-(1-phenylsulfanylethyl)-1H-indole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N=[N-]

DOS

IR

Vibrations