Geometry & MOs

Info

ID:

441236

PubChem CID:

135233755

Reduced:

NH18C23 (2)

Stoich.:

AB18C23 (2)

Weight, g/mol:

544.19732

ΔHf, kcal/mol:

163.44

Dipole, Da:

0.79

IP(EA), eV:

 -7.89(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(3Z,5E)-7-methyl-1-(4-phenylphenyl)-2,7-dihydro-1-benzazonin-5-yl]dibenzothiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC(=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations