Geometry & MOs

Info

ID:

14399

PubChem CID:

410775

Reduced:

INC19H19 (1)

Stoich.:

ABC19D19 (1)

Weight, g/mol:

388.05622

ΔHf, kcal/mol:

74.12

Dipole, Da:

3.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.289841

Charge, e:

 1

Chem-info

IUPAC name:

2-[2-(4-iodophenyl)ethenyl]-1,3,3-trimethylindol-1-ium

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)I)C)C

DOS

IR

Vibrations