Geometry & MOs

Info

ID:	431276
PubChem CID:	135171347
Reduced:	O2N6H26C27 (1)
Stoich.:	A2B6C26D27 (1)
Weight, g/mol:	466.211724
ΔH_f, kcal/mol:	67.13
Dipole, Da:	3.58
IP(EA), eV:	-9.46(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=C(C3=CC=CC=C3O2)C#N)C(=O)C4=NC5=C(N4)C=C(C=C5)C#N

DOS

IR

Vibrations