Geometry & MOs

Info

ID:

181418

PubChem CID:

76745587

Reduced:

N2S2O8C35H53 (2)

Stoich.:

A2B2C8D35E53 (2)

Weight, g/mol:

255.160972

ΔHf, kcal/mol:

-656.42

Dipole, Da:

28.34

IP(EA), eV:

 -8.72(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline

Drug info:

PubChemData

Smile

CCCC[N+](CCCC)(CCCC)CCCC.CCC(C(=O)CCCCCC(=O)C(=C)C)NS(=O)(=O)C1=CC(=C2C=CC3=C4C2=C1C=CC4=C(C=C3O)S(=O)(=O)NC(CC)C(=O)CCCCCC(=O)C(=C)C)S(=O)(=O)NC(CS(=O)(=O)[O-])C(=O)CCCCCC(=O)C(=C)C

DOS

IR

Vibrations