Geometry & MOs

Info

ID:	438213
PubChem CID:	135227907
Reduced:	ON6C29H34 (1)
Stoich.:	AB6C29D34 (1)
Weight, g/mol:	381.15896
ΔH_f, kcal/mol:	65.55
Dipole, Da:	6.48
IP(EA), eV:	-8.39(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(dipyridin-2-ylmethyl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCC1(C(C2=C(N1)C=CC(=C2)C3=C(N=NN3C)C)CCC(C4=CC=CC=N4)C5=CC=CC=N5)OCC

DOS

IR

Vibrations