Geometry & MOs

Info

ID:

320785

PubChem CID:

126663372

Reduced:

SC13H20 (1)

Stoich.:

AB13C20 (1)

Weight, g/mol:

229.18305

ΔHf, kcal/mol:

-22.27

Dipole, Da:

2.8

IP(EA), eV:

-8.3(0.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-butyl-2,5,6,7-tetramethyl-3H-indole

Drug info:

PubChemData

Smile

CCCCC1=C(C=C(C(=C1C)C)C)S

DOS

IR

Vibrations