Geometry & MOs

Info

ID:	312830
PubChem CID:	126609044
Reduced:	ON4H40C62 (1)
Stoich.:	AB4C40D62 (1)
Weight, g/mol:	808.269908
ΔH_f, kcal/mol:	270.69
Dipole, Da:	3.82
IP(EA), eV:	-8.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-1,3,4-oxadiazole

Drug info:

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N3C4=C(C=C(C=C4)C5=NN=C(O5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC(=CC(=C9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C13)C1=CC=CC=C1

DOS

IR

Vibrations