Geometry & MOs

Info

ID:	50249
PubChem CID:	12012765
Reduced:	NPO3C7H13 (2)
Stoich.:	ABC3D7E13 (2)
Weight, g/mol:	408.157911
ΔH_f, kcal/mol:	-373.32
Dipole, Da:	5.34
IP(EA), eV:	-9.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(diethoxyphosphoryl)-3,6-diethylpyrazine

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(N=C(C(=N1)C)P(=O)(OCC)OCC)C)OCC

DOS

IR

Vibrations