Geometry & MOs

Info

ID:

215106

PubChem CID:

85084162

Reduced:

Cl2N2F3O4C37H39 (1)

Stoich.:

A2B2C3D4E37F39 (1)

Weight, g/mol:

666.24722

ΔHf, kcal/mol:

-287.57

Dipole, Da:

2.98

IP(EA), eV:

 -9.14(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-hydroxypropoxy]phenyl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CC2=CC(=CC=C2)OCC(CN(CC3=C(C(=CC=C3)C(F)(F)F)Cl)CC(C4=CC=CC=C4)C5=CC=CC=C5)O.Cl

DOS

IR

Vibrations