Geometry & MOs

Info

ID:	393119
PubChem CID:	135019458
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	1.5
IP(EA), eV:	-9.27(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-ethoxyphenyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H](C=C[C@H](O1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations