Geometry & MOs

Info

ID:	297658
PubChem CID:	117625069
Reduced:	NF2H31C52 (1)
Stoich.:	AB2C31D52 (1)
Weight, g/mol:	792.350449
ΔH_f, kcal/mol:	135.94
Dipole, Da:	4.38
IP(EA), eV:	-8.28(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[2,3-bis(4-methylphenyl)indol-1-yl]pyren-2-yl]-2,3-bis(4-methylphenyl)indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C4=C5C(=C(C=C4)N6C7=CC=CC=C7C(=C6C8=CC=C(C=C8)F)C9=CC=C(C=C9)F)C=CC=C5C3=C(C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations