Geometry & MOs

Info

ID:

231931

PubChem CID:

87574941

Reduced:

BrSCl2F3N3O3H25C35 (1)

Stoich.:

ABC2D3E3F3G25H35 (1)

Weight, g/mol:

438.148589

ΔHf, kcal/mol:

-169.07

Dipole, Da:

7.15

IP(EA), eV:

 -9.4(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2-chloroquinolin-4-yl)methyl]-5,5,5-trifluoro-3-(5-fluoro-2-methylphenyl)-3-methylpentan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CC2=CC(=C(N=C2CNC(=O)CO)C3=CC=C(C=C3)Br)C4=C(C=C(C=C4)Cl)Cl)C(=O)C5=CC=C(C=C5)SC(F)(F)F

DOS

IR

Vibrations