Geometry & MOs

Info

ID:	2479
PubChem CID:	7685
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	1.55
IP(EA), eV:	-8.93(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) 2-methylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations