Geometry & MOs

Info

ID:	159117
PubChem CID:	57260455
Reduced:	OC6H13 (2)
Stoich.:	AB6C13 (2)
Weight, g/mol:	239.07113
ΔH_f, kcal/mol:	-154.68
Dipole, Da:	3.14
IP(EA), eV:	-10.11(2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethoxy(ethyl)phosphoryl]oxybenzonitrile

Drug info:

PubChemData

Smile

CCCCCC(CC(CCCC)O)O

DOS

IR

Vibrations