Geometry & MOs

Info

ID:	216728
PubChem CID:	85086683
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	296.141245
ΔH_f, kcal/mol:	-70.02
Dipole, Da:	1.24
IP(EA), eV:	-8.55(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-3-yl-[9-(2-hydroxyethyl)-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl]methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(CC3C2CC4C3C5C4C(=O)CCC5=O)C=C1

DOS

IR

Vibrations