Geometry & MOs

Info

ID:	52249
PubChem CID:	12015057
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	302.115424
ΔH_f, kcal/mol:	-121.99
Dipole, Da:	4.39
IP(EA), eV:	-8.9(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(hydroxymethyl)-5-methoxy-2,3-dihydroinden-1-yl]methyl furan-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(CC2)(CO)CO

DOS

IR

Vibrations