Geometry & MOs

Info

ID:	431149
PubChem CID:	135171219
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	34.44
Dipole, Da:	8.83
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3=CC=CC=C3O2)C(=O)C4=NC5=C(N4)C=C(C=C5)C#N

DOS

IR

Vibrations