Geometry & MOs

Info

ID:	406643
PubChem CID:	135078244
Reduced:	IO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	586.205649
ΔH_f, kcal/mol:	-37.59
Dipole, Da:	3.92
IP(EA), eV:	-8.97(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 2,5-bis(diethoxyphosphoryloxy)pyrazine-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C(=CN(C1=O)C)N(C)CC2=CC=CC=C2I

DOS

IR

Vibrations