Geometry & MOs

Info

ID:	220481
PubChem CID:	85195522
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	-161.02
Dipole, Da:	1.9
IP(EA), eV:	-9.63(1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,8-dimethyl-6,7,11,12-tetradehydro-2,3,4,9-tetrahydrobenzo[10]annulen-10-one

Drug info:

PubChemData

Smile

C1CC2(CC3CC1C4(C(C3)C2)OCCO4)O

DOS

IR

Vibrations