Geometry & MOs

Info

ID:	168104
PubChem CID:	74924255
Reduced:	NO5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	-169.62
Dipole, Da:	8.21
IP(EA), eV:	-9.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations