Geometry & MOs

Info

ID:	52247
PubChem CID:	12015055
Reduced:	SO4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	322.120509
ΔH_f, kcal/mol:	-126.9
Dipole, Da:	2.0
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(hydroxymethyl)-2,3-dihydrocyclopenta[a]naphthalen-1-yl]methyl furan-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(CC2)(CO)COC(=O)C3=CC=CS3

DOS

IR

Vibrations