Geometry & MOs

Info

ID:	401837
PubChem CID:	135052865
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	426.131468
ΔH_f, kcal/mol:	-191.19
Dipole, Da:	2.19
IP(EA), eV:	-9.11(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4,5-trimethoxyphenyl)acetyl]phenyl] 5-(hydroxymethyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CCO/C(=C/C1=CC=CC=C1C(=O)OCC)/C(=O)OCC

DOS

IR

Vibrations