Geometry & MOs

Info

ID:	141633
PubChem CID:	52905037
Reduced:	ON2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	469.210052
ΔH_f, kcal/mol:	12.36
Dipole, Da:	4.19
IP(EA), eV:	-8.99(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylhex-4-enamide

Drug info:

PubChemData

Smile

C1CN[C@H]([C@@]12C3=CC=CC=C3NC2=O)C4=CC=CC=C4

DOS

IR

Vibrations