Geometry & MOs

Info

ID:	431275
PubChem CID:	135171346
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	466.211724
ΔH_f, kcal/mol:	-93.34
Dipole, Da:	3.54
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC(C2=CC=CC=C2)(O)O)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations