Geometry & MOs

Info

ID:	220306
PubChem CID:	85177279
Reduced:	O5C12H20 (1)
Stoich.:	A5B12C20 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	-238.5
Dipole, Da:	2.57
IP(EA), eV:	-9.87(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(7-ethyl-1-benzofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(CCC1CC(OCC1=O)OC)OC(=O)C

DOS

IR

Vibrations