Geometry & MOs

Info

ID:	52246
PubChem CID:	12015053
Reduced:	O5C18H20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	318.09258
ΔH_f, kcal/mol:	-169.26
Dipole, Da:	3.54
IP(EA), eV:	-8.92(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(hydroxymethyl)-7-methoxy-2,3-dihydroinden-1-yl]methyl thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)OCC2(CCC3=C2C(=CC=C3)OC)CO

DOS

IR

Vibrations