Geometry & MOs

Info

ID:	430883
PubChem CID:	135170950
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	10.5
Dipole, Da:	3.77
IP(EA), eV:	-8.65(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=N2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations