Geometry & MOs

Info

ID:	310475
PubChem CID:	126580666
Reduced:	NO3C13H21 (2)
Stoich.:	AB3C13D21 (2)
Weight, g/mol:	140.131349
ΔH_f, kcal/mol:	-227.47
Dipole, Da:	5.52
IP(EA), eV:	-9.01(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2S)-azetidin-2-yl]methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC[C@H](C4)CN5CCOCC5)OC)C

DOS

IR

Vibrations