Geometry & MOs

Info

ID:	163309
PubChem CID:	57729738
Reduced:	OPtN2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	454.179361
ΔH_f, kcal/mol:	182.93
Dipole, Da:	6.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.229788
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=NN1C2=[C-]C=CC(=C2)C3=CC=CC=C3.[Pt]

DOS

IR

Vibrations