Geometry & MOs

Info

ID:

180368

PubChem CID:

76622743

Reduced:

F3O3N4H23C26 (1)

Stoich.:

A3B3C4D23E26 (1)

Weight, g/mol:

527.189272

ΔHf, kcal/mol:

-176.95

Dipole, Da:

1.88

IP(EA), eV:

 -9.09(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(1-aminoethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(1-methyl-2,3-dihydrobenzotriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C2CN(CC2=CC=C1)C(=O)C3=C(OC(=N3)C4=C5C=CC(=NC5=C(C=C4)OC)C(F)(F)F)C(C)N

DOS

IR

Vibrations