Geometry & MOs

Info

ID:	393427
PubChem CID:	135020551
Reduced:	O6C23H28 (1)
Stoich.:	A6B23C28 (1)
Weight, g/mol:	362.209324
ΔH_f, kcal/mol:	-208.95
Dipole, Da:	2.52
IP(EA), eV:	-9.45(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-but-3-enyl-2-[2-(4,5,6,7-tetrahydro-2-benzofuran-1-yl)ethyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1C#CCC(CCC=C)(C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations