Geometry & MOs

Info

ID:	431165
PubChem CID:	135171235
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	60.6
Dipole, Da:	3.68
IP(EA), eV:	-9.49(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyano-N-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=NOC(=C2)C3CC3)C(=O)C4=NC5=C(N4)C=C(C=C5)C#N

DOS

IR

Vibrations