Geometry & MOs

Info

ID:	445098
PubChem CID:	135264531
Reduced:	N5H29C42 (1)
Stoich.:	A5B29C42 (1)
Weight, g/mol:	603.242296
ΔH_f, kcal/mol:	225.48
Dipole, Da:	2.74
IP(EA), eV:	-7.94(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-methylphenyl)pyrrolo[2,3-a]carbazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=CC3=C2C=CC4=C3N(C5=CC=CC=C45)C6=CC=C(C=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations