Geometry & MOs

Info

ID:	216625
PubChem CID:	85086515
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	286.229666
ΔH_f, kcal/mol:	-110.19
Dipole, Da:	2.52
IP(EA), eV:	-9.41(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethenyl-5,9b-dimethyl-3-propan-2-yl-2,3,3a,6a,7,8,9,9a-octahydro-1H-cyclopenta[e]azulen-6-one

Drug info:

PubChemData

Smile

CCC=C(C1CCC2(CC1=O)OCCO2)C3=CC=CC=C3

DOS

IR

Vibrations