Geometry & MOs

Info

ID:	431044
PubChem CID:	135171114
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	455.232125
ΔH_f, kcal/mol:	-3.98
Dipole, Da:	2.38
IP(EA), eV:	-8.77(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=C(C3=CC=CC=C3O2)C)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations