Geometry & MOs

Info

ID:	445099
PubChem CID:	135264533
Reduced:	N5H29C42 (1)
Stoich.:	A5B29C42 (1)
Weight, g/mol:	679.273596
ΔH_f, kcal/mol:	228.91
Dipole, Da:	3.93
IP(EA), eV:	-7.91(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C=CC3=C2C4=C(C=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations