Geometry & MOs

Info

ID:	425516
PubChem CID:	135126597
Reduced:	OF3N7H26C30 (1)
Stoich.:	AB3C7D26E30 (1)
Weight, g/mol:	496.151096
ΔH_f, kcal/mol:	2.28
Dipole, Da:	5.01
IP(EA), eV:	-8.37(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=NC=CC(=C2)C(F)(F)F)C#CC3=CC4=C(C=C3)N(C=N4)C5=CN(N=C5)CCN(C)C

DOS

IR

Vibrations