Geometry & MOs

Info

ID:

193789

PubChem CID:

78437085

Reduced:

NO6C14H18 (1)

Stoich.:

AB6C14D18 (1)

Weight, g/mol:

269.047519

ΔHf, kcal/mol:

-219.64

Dipole, Da:

6.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.994323

Charge, e:

 0

Chem-info

IUPAC name:

3-azaniumyl-4-(2,3,4,5,6-pentafluorophenyl)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)NC(CC(=O)[O-])C1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations