Geometry & MOs

Info

ID:	6729
PubChem CID:	69746
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-130.88
Dipole, Da:	1.47
IP(EA), eV:	-8.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-tert-butyl-4-hydroxyphenyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=C(C=C1)O)C(C)(C)C

DOS

IR

Vibrations