Geometry & MOs

Info

ID:	22450
PubChem CID:	597218
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-170.02
Dipole, Da:	2.91
IP(EA), eV:	-9.07(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyloxy-4-tert-butylphenyl) acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations