Geometry & MOs

Info

ID:

403859

PubChem CID:

135062211

Reduced:

ON2F6C16H17 (1)

Stoich.:

AB2C6D16E17 (1)

Weight, g/mol:

456.338889

ΔHf, kcal/mol:

-320.17

Dipole, Da:

8.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.906901

Charge, e:

 1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=[N+](CCCC1)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations