Geometry & MOs

Info

ID:	9361
PubChem CID:	88529
Reduced:	O3H12C13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	216.078644
ΔH_f, kcal/mol:	-75.4
Dipole, Da:	2.72
IP(EA), eV:	-9.55(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-benzylfuran-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=COC(=C1)CC2=CC=CC=C2

DOS

IR

Vibrations