Geometry & MOs

Info

ID:	381538
PubChem CID:	134972306
Reduced:	O5C19H26 (1)
Stoich.:	A5B19C26 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	-202.6
Dipole, Da:	1.5
IP(EA), eV:	-9.58(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/[C@H]1C[C@@H](OC(O1)(C)C)COCC2=CC=CC=C2

DOS

IR

Vibrations