Geometry & MOs

Info

ID:	409186
PubChem CID:	135081965
Reduced:	KC13H19 (1)
Stoich.:	AB13C19 (1)
Weight, g/mol:	80.002832
ΔH_f, kcal/mol:	-17.47
Dipole, Da:	10.05
IP(EA), eV:	-5.51(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[CH-]CC(C)C.[K+]

DOS

IR

Vibrations