Geometry & MOs

Info

ID:

133944

PubChem CID:

51617781

Reduced:

N2C12H21 (1)

Stoich.:

A2B12C21 (1)

Weight, g/mol:

192.162649

ΔHf, kcal/mol:

69.93

Dipole, Da:

1.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753686

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S)-1-pyrrolidin-1-ylbut-3-yn-2-yl]pyrrolidine

Drug info:

PubChemData

Smile

C#C[C@@H](C[NH+]1CCCC1)N2CCCC2

DOS

IR

Vibrations