Geometry & MOs

Info

ID:

408643

PubChem CID:

135081411

Reduced:

C8H15 (1)

Stoich.:

A8B15 (1)

Weight, g/mol:

108.034132

ΔHf, kcal/mol:

-0.92

Dipole, Da:

0.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.909235

Charge, e:

 1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC[CH]C(=C)C(C)C

DOS

IR

Vibrations