Geometry & MOs

Info

ID:	398083
PubChem CID:	135031661
Reduced:	C17H28 (1)
Stoich.:	A17B28 (1)
Weight, g/mol:	296.17763
ΔH_f, kcal/mol:	-5.6
Dipole, Da:	0.9
IP(EA), eV:	-8.94(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aE,6Z,9R,9aS)-4-phenyl-2,3,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene-9-carboxylate

Drug info:

PubChemData

Smile

CCCC/C(=C/1\CCCC1CCC=C)/CC=C

DOS

IR

Vibrations