Geometry & MOs

Info

ID:

436068

PubChem CID:

135193667

Reduced:

ClO2F3N6H26C27 (1)

Stoich.:

AB2C3D6E26F27 (1)

Weight, g/mol:

571.196187

ΔHf, kcal/mol:

-140.27

Dipole, Da:

3.14

IP(EA), eV:

 -8.6(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-2-ethyl-1-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(N=CC2=N1)Cl)C(=O)NCC3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations