Geometry & MOs

Info

ID:	37735
PubChem CID:	8023815
Reduced:	O5C26H34 (1)
Stoich.:	A5B26C34 (1)
Weight, g/mol:	339.110673
ΔH_f, kcal/mol:	-214.43
Dipole, Da:	3.16
IP(EA), eV:	-8.39(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate

Drug info:

PubChemData

Smile

CCCC1CC(=O)C(C(=O)C1)[C@H](C2=CC=C(C=C2)OC)C3=C(CC(CC3=O)CCC)O

DOS

IR

Vibrations