Geometry & MOs

Info

ID:	227782
PubChem CID:	87562481
Reduced:	N2O5C34H50 (1)
Stoich.:	A2B5C34D50 (1)
Weight, g/mol:	278.100168
ΔH_f, kcal/mol:	-111.61
Dipole, Da:	2.44
IP(EA), eV:	-8.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxyhexanoic acid;2-oxopentanedioic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CC(=C2O)CN3CCCCC3)C4CCC5(C6(C4)C7CC8CC(C7)CC6C8)OOCOO5

DOS

IR

Vibrations