Geometry & MOs

Info

ID:

26687

PubChem CID:

794611

Reduced:

BrNO2C8H9 (1)

Stoich.:

ABC2D8E9 (1)

Weight, g/mol:

254.061076

ΔHf, kcal/mol:

-58.97

Dipole, Da:

8.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.864999

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-1-(1H-indol-3-yl)methanimine

Drug info:

PubChemData

Smile

C1=C[N+](=CC=C1C(=O)O)CCBr

DOS

IR

Vibrations