Geometry & MOs

Info

ID:

325545

PubChem CID:

126683881

Reduced:

O3N9C27H35 (1)

Stoich.:

A3B9C27D35 (1)

Weight, g/mol:

504.184521

ΔHf, kcal/mol:

29.3

Dipole, Da:

6.54

IP(EA), eV:

 -8.97(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-(6-carbamoylpyridin-2-yl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC1)NC(=O)C2=NC(=NC(=N2)OC[C@H]3C[C@H]3CN=C)N4CCC(CC4)C5=C6C(=CC=NC6=NN5)OC

DOS

IR

Vibrations