Geometry & MOs

Info

ID:

11209

PubChem CID:

111899

Reduced:

SN3O3C28H29 (2)

Stoich.:

AB3C3D28E29 (2)

Weight, g/mol:

974.385926

ΔHf, kcal/mol:

-0.67

Dipole, Da:

4.01

IP(EA), eV:

 -7.91(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile;naphthalene-1,5-disulfonate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations