Geometry & MOs

Info

ID:

136110

PubChem CID:

51979981

Reduced:

ON3C11H16 (1)

Stoich.:

AB3C11D16 (1)

Weight, g/mol:

186.109431

ΔHf, kcal/mol:

32.13

Dipole, Da:

9.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.898681

Charge, e:

 1

Chem-info

IUPAC name:

[2-(2,6-difluorophenyl)-2-methylpropyl]azanium

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=CC=CC(=N2)C=O

DOS

IR

Vibrations