Geometry & MOs

Info

ID:	433049
PubChem CID:	135173186
Reduced:	BrNH14C17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	550.240899
ΔH_f, kcal/mol:	72.74
Dipole, Da:	3.42
IP(EA), eV:	-9.29(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexa-2,4-dien-1-yl-2-phenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-2-yl)pyridine

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=CC(=NC(=C2)Br)C3=CC=CC=C3

DOS

IR

Vibrations