Geometry & MOs

Info

ID:	229759
PubChem CID:	87568830
Reduced:	PF2N2O7C32H39 (1)
Stoich.:	AB2C2D7E32F39 (1)
Weight, g/mol:	281.150132
ΔH_f, kcal/mol:	-425.36
Dipole, Da:	5.12
IP(EA), eV:	-8.39(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1,5-ditert-butyl-2H-pyrazin-1-ium-1,6-dicarboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)C[C@@H](C(=O)NCCCOC2=CC=C(C=C2)C)NC(=O)OCC3=CC=CC=C3)(F)F)OCC

DOS

IR

Vibrations