Geometry & MOs

Info

ID:	17545
PubChem CID:	503992
Reduced:	OC3H4 (6)
Stoich.:	AB3C4 (6)
Weight, g/mol:	336.157288
ΔH_f, kcal/mol:	-279.42
Dipole, Da:	7.71
IP(EA), eV:	-9.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-acetyl-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(=O)C1=C2C(=C(C(=C1O)C(=O)C)O)CC(O2)C(C)(C)O

DOS

IR

Vibrations