Geometry & MOs

Info

ID:	438217
PubChem CID:	135227911
Reduced:	FN6H19C23 (1)
Stoich.:	AB6C19D23 (1)
Weight, g/mol:	395.17461
ΔH_f, kcal/mol:	119.07
Dipole, Da:	6.12
IP(EA), eV:	-8.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C=C2)N=CN3C(C4=CC=CC=C4)C5=C(C=CC=N5)F

DOS

IR

Vibrations