Geometry & MOs

Info

ID:

149691

PubChem CID:

53789365

Reduced:

SN2O2C15H21 (1)

Stoich.:

AB2C2D15E21 (1)

Weight, g/mol:

332.17002

ΔHf, kcal/mol:

-42.3

Dipole, Da:

5.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.842470

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[3-(2,4-difluorophenoxy)propyl]piperidin-4-yl]pyridine

Drug info:

PubChemData

Smile

CCCCN(C1=CC2=C(C=C1)N=C(C2(C)C)C)S(=O)[O-]

DOS

IR

Vibrations