Geometry & MOs

Info

ID:	11639
PubChem CID:	118416
Reduced:	NPO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	225.05548
ΔH_f, kcal/mol:	-132.82
Dipole, Da:	7.76
IP(EA), eV:	-9.82(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl(methoxy)phosphoryl]oxybenzonitrile

Drug info:

PubChemData

Smile

CCP(=O)(OC)OC1=CC=C(C=C1)C#N

DOS

IR

Vibrations