Geometry & MOs

Info

ID:

425458

PubChem CID:

135126395

Reduced:

OF3N6H29C33 (1)

Stoich.:

AB3C6D29E33 (1)

Weight, g/mol:

583.230743

ΔHf, kcal/mol:

-14.06

Dipole, Da:

8.12

IP(EA), eV:

 -8.44(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-3-[2-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]benzimidazol-5-yl]ethynyl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCCC3)C(F)(F)F)C#CC4=CC5=C(C=C4)N(C=N5)C6=CN(N=C6)C

DOS

IR

Vibrations