Geometry & MOs

Info

ID:	8252
PubChem CID:	75676
Reduced:	NPO3C6H12 (1)
Stoich.:	ABC3D6E12 (1)
Weight, g/mol:	177.05548
ΔH_f, kcal/mol:	-175.15
Dipole, Da:	1.02
IP(EA), eV:	-11.01(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-diethoxyphosphorylacetonitrile

Drug info:

PubChemData

Smile

CCOP(=O)(CC#N)OCC

DOS

IR

Vibrations