Geometry & MOs

Info

ID:

186553

PubChem CID:

77444425

Reduced:

FCl2O2N7C28H34 (1)

Stoich.:

AB2C2D7E28F34 (1)

Weight, g/mol:

580.197664

ΔHf, kcal/mol:

-67.56

Dipole, Da:

7.84

IP(EA), eV:

 -8.79(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-[3-chloro-5-(1H-imidazol-2-yl)pyridin-2-yl]-2-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)Cl)CN2CCC(C(C2)O)N3CCN(CC3CCF)C4=C(C=C(C=N4)C5=NC=CN5)Cl

DOS

IR

Vibrations