Geometry & MOs

Info

ID:

442547

PubChem CID:

135252821

Reduced:

N3H14C23 (2)

Stoich.:

A3B14C23 (2)

Weight, g/mol:

876.248504

ΔHf, kcal/mol:

270.71

Dipole, Da:

0.81

IP(EA), eV:

 -7.9(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(1,3-benzoxazol-2-yl)-5-[5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]phenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC6=NC=CN=C6C=C5)C=CC7=C3C8=CC=CC=C8N7C9=CC=C(C=C9)C1=CC2=NC=CN=C2C=C1

DOS

IR

Vibrations