Geometry & MOs

Info

ID:

325439

PubChem CID:

126683279

Reduced:

NH18C27 (2)

Stoich.:

AB18C27 (2)

Weight, g/mol:

534.219495

ΔHf, kcal/mol:

248.42

Dipole, Da:

1.07

IP(EA), eV:

 -8.1(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(4-phenylphenyl)methyl]-4-(4-methylphenyl)phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC(=C5)C6=CC=CC7=C6C=CC=C7N8C9=CC=CC1=C9C2=C(C=CC=C28)C=C1

DOS

IR

Vibrations