Geometry & MOs

Info

ID:	22146
PubChem CID:	596089
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-97.36
Dipole, Da:	2.17
IP(EA), eV:	-8.95(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-di(propan-2-yl)phenyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations