Geometry & MOs

Info

ID:	430986
PubChem CID:	135171056
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-28.08
Dipole, Da:	3.71
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzoxazol-5-ylmethylamino)cyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1C[C@@H](COC1)N[C@@H]2CCC3=CC=CC=C23)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations