Geometry & MOs

Info

ID:

169789

PubChem CID:

75148805

Reduced:

OCl2F4N5C28H31 (1)

Stoich.:

AB2C4D5E28F31 (1)

Weight, g/mol:

570.15763

ΔHf, kcal/mol:

-188.94

Dipole, Da:

7.83

IP(EA), eV:

 -9.0(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)C(F)(F)F)F)C2CN(CC2C3=CC(=C(C=C3)Cl)Cl)C(=O)CN4CCN(CC4)CCC#N

DOS

IR

Vibrations