Geometry & MOs

Info

ID:	445087
PubChem CID:	135264517
Reduced:	N5H31C41 (1)
Stoich.:	A5B31C41 (1)
Weight, g/mol:	667.273596
ΔH_f, kcal/mol:	233.8
Dipole, Da:	1.12
IP(EA), eV:	-7.75(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenyl-1,2-dihydropyrrolo[2,3-c]carbazole

Drug info:

PubChemData

Smile

C=C(/C=C\C=C\C1=NC(=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)N4C5=C(C6=C(C=C5)N(CC6)C7=CC=CC=C7)C8=CC=CC=C84

DOS

IR

Vibrations