Geometry & MOs

Info

ID:

408503

PubChem CID:

135081269

Reduced:

C9H17 (1)

Stoich.:

A9B17 (1)

Weight, g/mol:

303.100292

ΔHf, kcal/mol:

-6.81

Dipole, Da:

0.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.907410

Charge, e:

 1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC[CH]C(=C)CC

DOS

IR

Vibrations