Geometry & MOs

Info

ID:	430899
PubChem CID:	135170967
Reduced:	ON3F4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	455.232125
ΔH_f, kcal/mol:	-199.09
Dipole, Da:	5.05
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyano-N-ethyl-N-[3-[(3-methyl-1-benzofuran-2-yl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CC(C1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2)NCC4=CC(=CC=C4)F

DOS

IR

Vibrations