Geometry & MOs

Info

ID:

12442

PubChem CID:

137848

Reduced:

C6H11 (1)

Stoich.:

A6B11 (1)

Weight, g/mol:

83.086075

ΔHf, kcal/mol:

-1.01

Dipole, Da:

0.38

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.754992

Charge, e:

0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC[CH]CC1

DOS

IR

Vibrations