Geometry & MOs

Info

ID:

429898

PubChem CID:

135169952

Reduced:

O2F3N8H23C25 (1)

Stoich.:

A2B3C8D23E25 (1)

Weight, g/mol:

551.140798

ΔHf, kcal/mol:

-90.18

Dipole, Da:

13.34

IP(EA), eV:

 -8.79(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)pyridin-3-yl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=CN1)N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)C(=O)NCCCCN)C#N)C(F)(F)F

DOS

IR

Vibrations