Geometry & MOs

Info

ID:	168103
PubChem CID:	74924254
Reduced:	NO3H29C32 (1)
Stoich.:	AB3C29D32 (1)
Weight, g/mol:	303.110673
ΔH_f, kcal/mol:	-28.62
Dipole, Da:	3.43
IP(EA), eV:	-8.47(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=COC2=C1C)C3=CC=CC4=CC=CC=C43)C(=CC(=O)NC5=CC=C(C=C5)C)C

DOS

IR

Vibrations