Geometry & MOs

Info

ID:

170137

PubChem CID:

75202628

Reduced:

OF6N6C35H36 (1)

Stoich.:

AB6C6D35E36 (1)

Weight, g/mol:

576.232381

ΔHf, kcal/mol:

-210.06

Dipole, Da:

4.6

IP(EA), eV:

 -8.68(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-1,3-oxazol-2-amine

Drug info:

PubChemData

Smile

C1CC1CN(CC2CC2)C3=NC4=CC=CC=C4C=C3CN(CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=NC=C(C=N6)N7CCOCC7

DOS

IR

Vibrations