Geometry & MOs

Info

ID:	17872
PubChem CID:	524796
Reduced:	C6H11 (2)
Stoich.:	A6B11 (2)
Weight, g/mol:	166.172151
ΔH_f, kcal/mol:	-45.22
Dipole, Da:	0.05
IP(EA), eV:	-10.22(3.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene

Drug info:

PubChemData

Smile

C1CCCC2CCCCC2CC1

DOS

IR

Vibrations