Geometry & MOs

Info

ID:

379580

PubChem CID:

134447598

Reduced:

N5H67C104 (1)

Stoich.:

A5B67C104 (1)

Weight, g/mol:

487.23

ΔHf, kcal/mol:

505.23

Dipole, Da:

4.89

IP(EA), eV:

 -8.16(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[4-[[2-(2-phenylphenyl)phenyl]methyl]phenyl]phenyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1N2C3=C(C=C(C=C3)C4=CC=CC=C4)C5=C2C=CC(=C5)C6=CC=CC=C6)N7C8=C(C=C(C=C8)C9=CC=CC=C9)C1=C7C=CC(=C1)C1=CC=CC=C1)C#N)N1C2=C(C=C(C=C2)C2=CC=CC=C2)C2=C1C=CC(=C2)C1=CC=CC=C1)N1C2=C(C=C(C=C2)C2=CC=CC=C2)C2=C1C=CC(=C2)C1=CC=CC=C1

DOS

IR

Vibrations