Geometry & MOs

Info

ID:

442545

PubChem CID:

135252818

Reduced:

N3H14C23 (2)

Stoich.:

A3B14C23 (2)

Weight, g/mol:

984.2921

ΔHf, kcal/mol:

266.82

Dipole, Da:

4.75

IP(EA), eV:

 -7.91(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[3-[5-[3,5-bis[4-(1,2,4-oxadiazol-5-yl)phenyl]phenyl]indolo[3,2-c]carbazol-12-yl]-5-[4-(1,2,4-oxadiazol-5-yl)phenyl]phenyl]phenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=NC6=C(C=C5)C=CN=C6)C=CC7=C3C8=CC=CC=C8N7C9=CC=CC(=C9)C1=NC2=C(C=C1)C=CN=C2

DOS

IR

Vibrations