Geometry & MOs

Info

ID:

440795

PubChem CID:

135231491

Reduced:

O2F3N7C23H28 (1)

Stoich.:

A2B3C7D23E28 (1)

Weight, g/mol:

501.210008

ΔHf, kcal/mol:

-112.34

Dipole, Da:

5.66

IP(EA), eV:

 -8.55(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[C-methyl-N-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]carbonimidoyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboximidamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1C(C/C=C\NC)N2CCN(CC2)C)C3=NC=C(O3)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations