Geometry & MOs

Info

ID:	13226
PubChem CID:	223525
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-184.17
Dipole, Da:	0.55
IP(EA), eV:	-9.59(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(1-phenylethyl)butanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations