Geometry & MOs

Info

ID:	6809
PubChem CID:	70141
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-82.31
Dipole, Da:	1.85
IP(EA), eV:	-8.9(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl) acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC(=O)C

DOS

IR

Vibrations