Geometry & MOs

Info

ID:	312646
PubChem CID:	126607146
Reduced:	IOC9H9 (1)
Stoich.:	ABC9D9 (1)
Weight, g/mol:	490.235539
ΔH_f, kcal/mol:	-8.06
Dipole, Da:	3.65
IP(EA), eV:	-9.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,6R)-2-(hydroxymethyl)-6-[4-methyl-3-[[4-[(4-methyl-1,3-dihydro-2-benzofuran-1-yl)methoxy]phenyl]methyl]phenyl]oxane-3,4-diol

Drug info:

PubChemData

Smile

CC1C2=CC=CC=C2C(O1)I

DOS

IR

Vibrations