Geometry & MOs

Info

ID:	394078
PubChem CID:	135022297
Reduced:	O3C8H16 (1)
Stoich.:	A3B8C16 (1)
Weight, g/mol:	426.204239
ΔH_f, kcal/mol:	-129.8
Dipole, Da:	1.05
IP(EA), eV:	-10.17(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4R)-4-(methoxymethoxy)hex-5-en-2-yl] 2-hydroxy-4-phenylmethoxy-6-prop-2-enylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C[C@H](C=C)OCOC)O

DOS

IR

Vibrations