Geometry & MOs

Info

ID:	319493
PubChem CID:	126656357
Reduced:	ON4H36C53 (1)
Stoich.:	AB4C36D53 (1)
Weight, g/mol:	411.1987
ΔH_f, kcal/mol:	227.73
Dipole, Da:	3.62
IP(EA), eV:	-8.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

CC1C(N=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)N4C5=CC=CC=C5C6=C(C=C7C8=CC=CC=C8OC7=C64)C9=CC=C(C=C9)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations