Geometry & MOs

Info

ID:	433747
PubChem CID:	135173888
Reduced:	O6N8H40C43 (1)
Stoich.:	A6B8C40D43 (1)
Weight, g/mol:	551.2613
ΔH_f, kcal/mol:	-25.61
Dipole, Da:	8.94
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(11,11,12,12-tetramethylindeno[2,1-a]fluoren-5-yl)phenyl]carbazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CC(C2)N3CC(C3)OC4=CC=C(C=C4)N5C=C(C(=N5)C6=CC=NC=C6)C7=CC8=C(C=C7)/C(=N/O)/CC8)C(=O)N(C=O)C9CCC(=O)NC9=O

DOS

IR

Vibrations