Geometry & MOs

Info

ID:	425465
PubChem CID:	135126417
Reduced:	OF3N6H17C26 (1)
Stoich.:	AB3C6D17E26 (1)
Weight, g/mol:	504.132172
ΔH_f, kcal/mol:	11.98
Dipole, Da:	2.76
IP(EA), eV:	-8.47(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-[2-[1-(1-methylpyrazol-4-yl)benzimidazol-5-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2C=NC3=C2C=CC(=C3)C#CC4=CC(=CC=C4)NC(=O)C5=NC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations