Geometry & MOs

Info

ID:	168105
PubChem CID:	74924256
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-174.21
Dipole, Da:	2.63
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(6-methoxy-3-methyl-1-benzofuran-5-yl)but-2-enoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=COC2=CC(=C(C=C12)C(=CC(=O)NCCC(=O)O)C)OC

DOS

IR

Vibrations