Geometry & MOs

Info

ID:	442225
PubChem CID:	135250672
Reduced:	NOH9C11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	684.378789
ΔH_f, kcal/mol:	29.02
Dipole, Da:	2.71
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)pyridin-2-yl]phenyl]pyridin-3-yl]-4,4,5,5-tetramethyl-1,3-oxazole

Drug info:

PubChemData

Smile

C1COC(=N1)C2=CC=CC(=C2)C3=CC(=CC(=C3)C4=CC(=CC=C4)C5=NCCO5)C6=CC(=CC=C6)C7=NCCO7

DOS

IR

Vibrations