Geometry & MOs

Info

ID:	380277
PubChem CID:	134970680
Reduced:	O4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	336.193674
ΔH_f, kcal/mol:	-185.66
Dipole, Da:	1.75
IP(EA), eV:	-9.35(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6R)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl acetate

Drug info:

PubChemData

Smile

CC1(O[C@H](CC(O1)CCOCC2=CC=CC=C2)CCO)C

DOS

IR

Vibrations