Geometry & MOs

Info

ID:	299757
PubChem CID:	117689187
Reduced:	FO2N5H16C20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	72.05
Dipole, Da:	6.59
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2(C=C(NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4)N)F

DOS

IR

Vibrations