Geometry & MOs

Info

ID:	299774
PubChem CID:	117689298
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	72.73
Dipole, Da:	3.96
IP(EA), eV:	-8.51(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-cyclopropyl-7-(2-ethoxy-4-methylpyridin-3-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)C2=C3C(=CC(=C2)C4=C(ON=C4C)C)NC(=N3)C5CCC5

DOS

IR

Vibrations