Geometry & MOs

Info

ID:

169790

PubChem CID:

75148806

Reduced:

OCl2F4N4C27H28 (1)

Stoich.:

AB2C4D4E27F28 (1)

Weight, g/mol:

644.194409

ΔHf, kcal/mol:

-191.44

Dipole, Da:

5.2

IP(EA), eV:

 -9.29(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[2-[3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]morpholin-3-one

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)CN4CCC(CC4)C#N

DOS

IR

Vibrations