Geometry & MOs

Info

ID:

17609

PubChem CID:

507303

Reduced:

NSC14H16 (1)

Stoich.:

ABC14D16 (1)

Weight, g/mol:

230.100346

ΔHf, kcal/mol:

33.43

Dipole, Da:

2.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.921966

Charge, e:

 1

Chem-info

IUPAC name:

2-[(2,5-dimethylphenyl)methylsulfanyl]pyridin-1-ium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=CC=CC=[NH+]2

DOS

IR

Vibrations