Geometry & MOs

Info

ID:	221014
PubChem CID:	85248209
Reduced:	NF3O4C9H16 (1)
Stoich.:	AB3C4D9E16 (1)
Weight, g/mol:	259.105587
ΔH_f, kcal/mol:	-365.72
Dipole, Da:	8.46
IP(EA), eV:	-11.13(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,5-tris(hydroxymethyl)-5,6,7,8-tetrahydroindolizine-6,7,8-triol

Drug info:

PubChemData

Smile

CC[NH2+]C(C(C)C)C(=O)O.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations