Geometry & MOs

Info

ID:	52245
PubChem CID:	12015052
Reduced:	BrO5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	316.131074
ΔH_f, kcal/mol:	-150.84
Dipole, Da:	2.59
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(CC2)(CO)COC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations