Geometry & MOs

Info

ID:

298229

PubChem CID:

117648088

Reduced:

NSH37C53 (1)

Stoich.:

ABC37D53 (1)

Weight, g/mol:

817.320546

ΔHf, kcal/mol:

195.98

Dipole, Da:

4.41

IP(EA), eV:

 -8.21(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-carbazol-9-yl-5-naphthalen-2-yl-N,N-diphenyl-10-(4-pyridin-2-ylphenyl)indolo[3,2-b]indol-3-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(C2(C)C)C=C(C=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC=C(C=C7)C8=CC=CC=C8)C9=C1C1=C(S9)C=C(C=C1)C1=CC=NC=C1

DOS

IR

Vibrations