Geometry & MOs

Info

ID:	19706
PubChem CID:	570878
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-172.7
Dipole, Da:	2.56
IP(EA), eV:	-9.36(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(4-methylphenyl)propanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations