Geometry & MOs

Info

ID:	26876
PubChem CID:	801052
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	248.068473
ΔH_f, kcal/mol:	-102.63
Dipole, Da:	4.81
IP(EA), eV:	-8.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-formyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN(C=C(C1C2=CC=CC=C2)C(=O)OC)C3CC3

DOS

IR

Vibrations