Geometry & MOs

Info

ID:

40144

PubChem CID:

8143634

Reduced:

O2N3C16H22 (1)

Stoich.:

A2B3C16D22 (1)

Weight, g/mol:

265.179027

ΔHf, kcal/mol:

-47.62

Dipole, Da:

2.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757610

Charge, e:

 0

Chem-info

IUPAC name:

3-(pyrrolidin-1-ylmethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)C[NH+]3CCCC3

DOS

IR

Vibrations