Geometry & MOs

Info

ID:	168106
PubChem CID:	74924257
Reduced:	NO5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	393.157623
ΔH_f, kcal/mol:	-180.88
Dipole, Da:	9.82
IP(EA), eV:	-8.97(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations