Geometry & MOs

Info

ID:	284906
PubChem CID:	104082355
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-168.05
Dipole, Da:	2.0
IP(EA), eV:	-8.86(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-chloro-4-cyanophenoxy)hexanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)OC1=CC=C(C=C1)CCOC

DOS

IR

Vibrations