Geometry & MOs

Info

ID:	341540
PubChem CID:	127264233
Reduced:	NO3C6H13 (1)
Stoich.:	AB3C6D13 (1)
Weight, g/mol:	436.205695
ΔH_f, kcal/mol:	-138.85
Dipole, Da:	7.77
IP(EA), eV:	-10.01(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanedioic acid;1-(3-hydroxypiperidin-4-yl)piperidin-3-ol

Drug info:

PubChemData

Smile

C[C@@](C1CC1)(C(=O)O)N.O

DOS

IR

Vibrations