Geometry & MOs

Info

ID:	339152
PubChem CID:	127260531
Reduced:	NO5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	-148.7
Dipole, Da:	2.25
IP(EA), eV:	-10.21(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dicyanophenoxy)pentyl benzoate

Drug info:

PubChemData

Smile

C1C(C(=O)N(C1=O)OC(=O)C2=CC=CC=C2)CCO

DOS

IR

Vibrations