Geometry & MOs

Info

ID:	449279
PubChem CID:	135297330
Reduced:	N5H27C45 (1)
Stoich.:	A5B27C45 (1)
Weight, g/mol:	637.251798
ΔH_f, kcal/mol:	261.63
Dipole, Da:	0.67
IP(EA), eV:	-8.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=CC=CC=C7N8C9=CC=CC=C9C1=C8C6=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations