Geometry & MOs

Info

ID:

448758

PubChem CID:

135293382

Reduced:

O2N5F8H19C23 (1)

Stoich.:

A2B5C8D19E23 (1)

Weight, g/mol:

501.139957

ΔHf, kcal/mol:

-341.72

Dipole, Da:

3.96

IP(EA), eV:

 -8.92(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N'-diamino-N-[2-(2,4-difluorophenyl)-3,3-difluoro-3-[5-[4-(trifluoromethyl)phenoxy]pyridin-2-yl]propyl]methanimidamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)F)COC2=CN=C(C=C2)C(C(CN(/C=N\N)N)(C3=C(C=C(C=C3)F)F)O)(F)F

DOS

IR

Vibrations