Geometry & MOs

Info

ID:	62686
PubChem CID:	26736201
Reduced:	ClNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	3.24
IP(EA), eV:	-9.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl) 2-(4-ethylphenoxy)acetate

Drug info:

PubChemData

Smile

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OC4=CC=CC=C4C#N

DOS

IR

Vibrations