Geometry & MOs

Info

ID:

429573

PubChem CID:

135169622

Reduced:

ON5H27C44 (1)

Stoich.:

AB5C27D44 (1)

Weight, g/mol:

487.077135

ΔHf, kcal/mol:

227.3

Dipole, Da:

2.92

IP(EA), eV:

 -8.46(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-6-(1,3,4-oxadiazol-2-yl)pyridin-3-yl]-2-isoquinolin-4-yl-3-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)N5C6=C(C7=C5C8=C(C=C7)N=C(O8)C9=CC=CC=C9)C1=CC=CC=C1C=C6

DOS

IR

Vibrations