Geometry & MOs

Info

ID:

409658

PubChem CID:

135082440

Reduced:

C9H17 (1)

Stoich.:

A9B17 (1)

Weight, g/mol:

64.0313

ΔHf, kcal/mol:

-10.88

Dipole, Da:

0.26

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.755049

Charge, e:

0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCCC[CH-]CCC1

DOS

IR

Vibrations