Geometry & MOs

Info

ID:

319948

PubChem CID:

126657656

Reduced:

N5H53C80 (1)

Stoich.:

A5B53C80 (1)

Weight, g/mol:

938.257161

ΔHf, kcal/mol:

352.62

Dipole, Da:

4.35

IP(EA), eV:

 -7.94(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-carbazol-9-ylphenyl)-10-methyl-7-[10-[4-(10-methylphenothiazin-3-yl)phenyl]phenothiazin-3-yl]phenothiazine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)C8=C(N7C)C=CC(=C8)C9=CC=C(C=C9)N2C3=CC=CC=C3C3=CC=CC=C32)C2=CC=CC=C24)C2=C1C=CC(=C2)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations