Geometry & MOs

Info

ID:	310438
PubChem CID:	126580337
Reduced:	SN3H27C44 (1)
Stoich.:	AB3C27D44 (1)
Weight, g/mol:	666.278347
ΔH_f, kcal/mol:	220.86
Dipole, Da:	4.74
IP(EA), eV:	-8.09(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,11-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C=C(C=C6)C7=CC=CC=C7)C8=C5C=C9C1=CC=CC=C1SC9=C8

DOS

IR

Vibrations