Geometry & MOs

Info

ID:	441224
PubChem CID:	135233720
Reduced:	SN2O6C26H34 (1)
Stoich.:	AB2C6D26E34 (1)
Weight, g/mol:	602.272199
ΔH_f, kcal/mol:	-171.58
Dipole, Da:	3.36
IP(EA), eV:	-8.93(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

CCCCC1=CC=C(S1)C[C@H](CC)C(=O)C2=C(C=C(OC2=O)[C@H](C)CC/C=C/NC(=O)OC)N=O

DOS

IR

Vibrations