Geometry & MOs

Info

ID:	425307
PubChem CID:	135125891
Reduced:	OF3N7H32C34 (1)
Stoich.:	AB3C7D32E34 (1)
Weight, g/mol:	460.151096
ΔH_f, kcal/mol:	-7.52
Dipole, Da:	7.71
IP(EA), eV:	-8.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CC5=C(C=C4)N(C=N5)C6=CN(N=C6)C

DOS

IR

Vibrations