Geometry & MOs

Info

ID:

413586

PubChem CID:

135086535

Reduced:

FNOC13H17 (1)

Stoich.:

ABCD13E17 (1)

Weight, g/mol:

221.121592

ΔHf, kcal/mol:

-38.14

Dipole, Da:

2.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.959279

Charge, e:

 0

Chem-info

IUPAC name:

(1-benzyl-4-fluoro-3,6-dihydro-2H-pyridin-5-yl)methanol

Drug info:

PubChemData

Smile

C1C[NH+](CC(=C1F)CO)CC2=CC=CC=C2

DOS

IR

Vibrations