Geometry & MOs

Info

ID:	427808
PubChem CID:	135163220
Reduced:	NH27C42 (1)
Stoich.:	AB27C42 (1)
Weight, g/mol:	666.303499
ΔH_f, kcal/mol:	184.18
Dipole, Da:	2.35
IP(EA), eV:	-7.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2N3C4=CC=CC=C4C5=C3C6=CC=CC=C6C7=C5C8=CC=CC=C8C(=C7)C9=CC=CC=C9

DOS

IR

Vibrations