Geometry & MOs

Info

ID:

446502

PubChem CID:

135275518

Reduced:

NO7H35C45 (1)

Stoich.:

AB7C35D45 (1)

Weight, g/mol:

946.4287

ΔHf, kcal/mol:

-135.48

Dipole, Da:

5.13

IP(EA), eV:

 -8.28(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3,3-trimethyl-2-[(1E)-2-phenanthren-4-ylbuta-1,3-dienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]inden-5-amine

Drug info:

PubChemData

Smile

COC1=C2C=CC(=CC2=C(C3=CC=CC=C31)COC4CCOC4=O)C5=CC6=C(C7=CC=CC=C7C(=C6C=C5)C8=CC=CC=C8)C(=O)NC9CCOC9=O

DOS

IR

Vibrations