Geometry & MOs

Info

ID:

384712

PubChem CID:

134977523

Reduced:

ClNC8H16 (1)

Stoich.:

ABC8D16 (1)

Weight, g/mol:

126.128275

ΔHf, kcal/mol:

21.0

Dipole, Da:

15.58

IP(EA), eV:

-7.88(-0.68)

Spin(Sz, S2):

None, None

Charge, e:

1

Chem-info

IUPAC name:

trimethyl(2-methylbut-3-yn-2-yl)azanium

Drug info:

PubChemData

Smile

CC(C)(C#C)[N+](C)(C)C.[Cl-]

DOS

IR

Vibrations