Geometry & MOs

Info

ID:

88705

PubChem CID:

49956184

Reduced:

NCl2O2C16H18 (1)

Stoich.:

AB2C2D16E18 (1)

Weight, g/mol:

337.132382

ΔHf, kcal/mol:

-68.3

Dipole, Da:

5.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754025

Charge, e:

 -2

Chem-info

IUPAC name:

1-(1-oxa-8-azaspiro[4.5]decan-3-yl)piperidine-4-carboxamide;dichloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCCO)OCC2=CC=C(C=C2)Cl.[Cl-]

DOS

IR

Vibrations