Geometry & MOs

Info

ID:

165533

PubChem CID:

74561730

Reduced:

SN2C10H15 (1)

Stoich.:

AB2C10D15 (1)

Weight, g/mol:

178.159575

ΔHf, kcal/mol:

48.35

Dipole, Da:

2.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757071

Charge, e:

 1

Chem-info

IUPAC name:

[1-(2,4-dimethylphenyl)-2-methylpropyl]azanium

Drug info:

PubChemData

Smile

C1CSCC1[NH2+]CC2=CC=CC=N2

DOS

IR

Vibrations