Geometry & MOs

Info

ID:

326395

PubChem CID:

126687466

Reduced:

FN2O2C22H27 (1)

Stoich.:

AB2C2D22E27 (1)

Weight, g/mol:

1090.27562

ΔHf, kcal/mol:

-106.81

Dipole, Da:

0.9

IP(EA), eV:

 -8.74(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[4-(3-bromocarbazol-9-yl)phenyl]-6-[4-[5-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3=CC=CC=C3F)O)C4=NC=C(C=C4)O

DOS

IR

Vibrations