Geometry & MOs

Info

ID:	299772
PubChem CID:	117689286
Reduced:	NOF2H15C18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	358.179361
ΔH_f, kcal/mol:	-49.41
Dipole, Da:	4.17
IP(EA), eV:	-9.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=CC=CC(=C2C3=CC=CC=C3OCC(F)F)C#N

DOS

IR

Vibrations