Geometry & MOs

Info

ID:

21241

PubChem CID:

587763

Reduced:

C6H11 (1)

Stoich.:

A6B11 (1)

Weight, g/mol:

83.086075

ΔHf, kcal/mol:

6.0

Dipole, Da:

0.44

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.907990

Charge, e:

-3

Chem-info

IUPAC name:

hexane

Drug info:

PubChemData

Smile

CC[CH-][CH-][CH-]C

DOS

IR

Vibrations