Geometry & MOs

Info

ID:	411702
PubChem CID:	135084536
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-122.86
Dipole, Da:	2.83
IP(EA), eV:	-9.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-oxo-2-phenylpentanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations