Geometry & MOs

Info

ID:	177161
PubChem CID:	76142573
Reduced:	O5N6C9H12 (1)
Stoich.:	A5B6C9D12 (1)
Weight, g/mol:	252.084517
ΔH_f, kcal/mol:	-80.67
Dipole, Da:	6.51
IP(EA), eV:	-9.73(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6,7,8,9-pentahydroxy-5-oxononanoic acid

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO[N-][N+]#N)O)O

DOS

IR

Vibrations