Geometry & MOs

Info

ID:	24793
PubChem CID:	613468
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-96.24
Dipole, Da:	9.27
IP(EA), eV:	-9.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl) 4-(2-butoxyethoxy)benzoate

Drug info:

PubChemData

Smile

CCCCOCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations