Geometry & MOs

Info

ID:

384713

PubChem CID:

134977524

Reduced:

NC8H16 (1)

Stoich.:

AB8C16 (1)

Weight, g/mol:

255.212869

ΔHf, kcal/mol:

48.58

Dipole, Da:

1.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.810283

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C#C)[N+](C)(C)C

DOS

IR

Vibrations