Geometry & MOs

Info

ID:	57525
PubChem CID:	22402078
Reduced:	ON3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	439.175678
ΔH_f, kcal/mol:	19.12
Dipole, Da:	4.08
IP(EA), eV:	-8.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(Z)-6-[4-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=NN12)OC)C

DOS

IR

Vibrations