Geometry & MOs

Info

ID:

145032

PubChem CID:

53451469

Reduced:

FN2O3C14H14 (1)

Stoich.:

AB2C3D14E14 (1)

Weight, g/mol:

302.155632

ΔHf, kcal/mol:

-103.38

Dipole, Da:

5.99

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.807049

Charge, e:

 1

Chem-info

IUPAC name:

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-fluorophenyl)butyl]azanium

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)C=CC(=O)[O-]

DOS

IR

Vibrations