Geometry & MOs

Info

ID:	394445
PubChem CID:	135023009
Reduced:	O6C37H42 (1)
Stoich.:	A6B37C42 (1)
Weight, g/mol:	318.204239
ΔH_f, kcal/mol:	-164.63
Dipole, Da:	2.58
IP(EA), eV:	-9.33(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,5R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-prop-2-enyloxan-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2[C@H](C(C([C@H](O2)CCCO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations