Geometry & MOs

Info

ID:

401408

PubChem CID:

135051188

Reduced:

N3H8C9 (1)

Stoich.:

A3B8C9 (1)

Weight, g/mol:

253.110279

ΔHf, kcal/mol:

97.93

Dipole, Da:

3.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.010526

Charge, e:

 0

Chem-info

IUPAC name:

5,6-dimethoxy-1-phenylindole

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)C(C#N)C#N

DOS

IR

Vibrations