Geometry & MOs

Info

ID:	182939
PubChem CID:	76959822
Reduced:	N5C13H19 (2)
Stoich.:	A5B13C19 (2)
Weight, g/mol:	301.957132
ΔH_f, kcal/mol:	125.91
Dipole, Da:	3.74
IP(EA), eV:	-9.61(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipotassium;[(2S)-2,3-dihydroxypropyl] phosphate;trihydrate

Drug info:

PubChemData

Smile

C[C@H](C(C)(C)C)N=C(NC#N)NC1=CC=NC=C1.C[C@@H](C(C)(C)C)N=C(NC#N)NC1=CC=NC=C1

DOS

IR

Vibrations