Geometry & MOs

Info

ID:	408435
PubChem CID:	135081201
Reduced:	ClO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	188.068473
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	1.85
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-acetyloxy-2-methyl-3-oxopropyl) acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(CC=O)CO)Cl

DOS

IR

Vibrations