Geometry & MOs

Info

ID:	178763
PubChem CID:	76377860
Reduced:	SN5O5H9C15 (1)
Stoich.:	AB5C5D9E15 (1)
Weight, g/mol:	235.141973
ΔH_f, kcal/mol:	-48.09
Dipole, Da:	8.54
IP(EA), eV:	-9.67(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)C(=O)[O-])N[N+]#N

DOS

IR

Vibrations