Geometry & MOs

Info

ID:

378254

PubChem CID:

134224330

Reduced:

O5F6N6H30C32 (1)

Stoich.:

A5B6C6D30E32 (1)

Weight, g/mol:

675.202871

ΔHf, kcal/mol:

-402.63

Dipole, Da:

4.15

IP(EA), eV:

 -8.46(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-[2-[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-yl]oxyethyl]-2-[6-[5-(trifluoromethoxy)-2,3-dihydro-1H-benzimidazol-2-yl]pyridin-3-yl]oxyethanamine

Drug info:

PubChemData

Smile

CC1(NC2=C(N1)C=C(C=C2)OC(F)(F)F)C3=NC=C(C=C3)OCCOCCOC4=CN=C(C=C4)C5(NC6=C(N5)C=C(C=C6)OC(F)(F)F)C

DOS

IR

Vibrations