Geometry & MOs

Info

ID:	11814
PubChem CID:	121455
Reduced:	NO6C9H13 (2)
Stoich.:	AB6C9D13 (2)
Weight, g/mol:	462.148574
ΔH_f, kcal/mol:	-517.38
Dipole, Da:	6.28
IP(EA), eV:	-10.13(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2,3-dihydroxybutanedioic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

Drug info:

PubChemData

Smile

CN1CCC[C@H]1C2=CN=CC=C2.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations