Geometry & MOs

Info

ID:	413056
PubChem CID:	135086000
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-154.82
Dipole, Da:	0.68
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methylidene-1-(2-methylphenyl)-3-oxobutyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations