Geometry & MOs

Info

ID:	404820
PubChem CID:	135071255
Reduced:	O5C6H11 (2)
Stoich.:	A5B6C11 (2)
Weight, g/mol:	147.089543
ΔH_f, kcal/mol:	-463.47
Dipole, Da:	4.69
IP(EA), eV:	-10.36(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](C(O[C@H]1[C@H]2C[C@@H]([C@H](C(O2)(CO)O)O)O)(CO)O)O)O

DOS

IR

Vibrations