Geometry & MOs

Info

ID:	284907
PubChem CID:	104082359
Reduced:	ClNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-94.0
Dipole, Da:	5.61
IP(EA), eV:	-9.48(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-cyano-2-ethoxyphenoxy)hexanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)OC1=C(C=C(C=C1)C#N)Cl

DOS

IR

Vibrations