Geometry & MOs

Info

ID:	414131
PubChem CID:	135087086
Reduced:	O8C17H20 (1)
Stoich.:	A8B17C20 (1)
Weight, g/mol:	336.120903
ΔH_f, kcal/mol:	-305.46
Dipole, Da:	4.48
IP(EA), eV:	-9.2(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 1-O,1-O-dimethyl 2-(2-methylphenyl)-3-oxopropane-1,1,3-tricarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations