Geometry & MOs

Info

ID:	442111
PubChem CID:	135249878
Reduced:	NOH12C16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	524.246378
ΔH_f, kcal/mol:	66.13
Dipole, Da:	2.02
IP(EA), eV:	-8.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[10-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]anthracen-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

C1COC(=N1)C2=CC=CC(=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC(=CC=C6)C7=NCCO7

DOS

IR

Vibrations