Geometry & MOs

Info

ID:

436129

PubChem CID:

135194005

Reduced:

ClO2F3N3C31H31 (1)

Stoich.:

AB2C3D3E31F31 (1)

Weight, g/mol:

557.180537

ΔHf, kcal/mol:

-196.68

Dipole, Da:

9.71

IP(EA), eV:

 -8.46(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C2=C(N1C)C=CC(=C2)Cl)C(=O)NCC3=CC=C(C=C3)C4CCN(CC4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations