Geometry & MOs

Info

ID:	404438
PubChem CID:	135066295
Reduced:	O3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	270.065887
ΔH_f, kcal/mol:	-250.48
Dipole, Da:	1.91
IP(EA), eV:	-10.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-acetyloxy-2-[4-(chloromethyl)phenyl]ethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@H](C1=CC=C(C=C1)C(=O)OC)OC(=O)C

DOS

IR

Vibrations