Geometry & MOs

Info

ID:	414130
PubChem CID:	135087085
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	352.115818
ΔH_f, kcal/mol:	14.12
Dipole, Da:	2.3
IP(EA), eV:	-8.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 1-O,1-O-dimethyl 2-(4-methoxyphenyl)-3-oxopropane-1,1,3-tricarboxylate

Drug info:

PubChemData

Smile

CCCC(=NC1=CC=CC=C1OC)C2=CC=CC=C2

DOS

IR

Vibrations