Geometry & MOs

Info

ID:	224887
PubChem CID:	85595963
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	385.71575
ΔH_f, kcal/mol:	-97.99
Dipole, Da:	3.33
IP(EA), eV:	-9.45(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1CCC2=CCCC3C2C1OC3O

DOS

IR

Vibrations