Geometry & MOs

Info

ID:	120719
PubChem CID:	50742184
Reduced:	O5C11H16 (1)
Stoich.:	A5B11C16 (1)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	-182.4
Dipole, Da:	2.31
IP(EA), eV:	-10.13(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2,2-dimethyl-3-oxo-1-phenylpropyl)propanedioate

Drug info:

PubChemData

Smile

CC12C=CC(O1)C(C2C(=O)OC)(OC)OC

DOS

IR

Vibrations