Geometry & MOs

Info

ID:	398985
PubChem CID:	135036758
Reduced:	O5H8C12 (1)
Stoich.:	A5B8C12 (1)
Weight, g/mol:	232.094688
ΔH_f, kcal/mol:	-135.63
Dipole, Da:	10.67
IP(EA), eV:	-9.5(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-2,3-diacetyloxybutyl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)O1)C2=CC(=O)C(=O)C=C2)O

DOS

IR

Vibrations