Geometry & MOs

Info

ID:	266432
PubChem CID:	103566156
Reduced:	NO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	273.063722
ΔH_f, kcal/mol:	-159.94
Dipole, Da:	5.77
IP(EA), eV:	-9.23(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyano-5-methoxyphenoxy)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)O)OC1=CC(=CC(=C1)OC)CN

DOS

IR

Vibrations