Geometry & MOs

Info

ID:	426396
PubChem CID:	135143803
Reduced:	NH27C31 (1)
Stoich.:	AB27C31 (1)
Weight, g/mol:	796.320212
ΔH_f, kcal/mol:	113.54
Dipole, Da:	1.28
IP(EA), eV:	-8.34(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-[3-[4-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-(2-phenylphenyl)carbazole

Drug info:

PubChemData

Smile

C1CC=C(C=C1)C2=CC(=CC(=C2)C3CC=CCC=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5

DOS

IR

Vibrations