Geometry & MOs

Info

ID:	47039
PubChem CID:	10529083
Reduced:	FN6O6C22H27 (1)
Stoich.:	AB6C6D22E27 (1)
Weight, g/mol:	489.894564
ΔH_f, kcal/mol:	-215.89
Dipole, Da:	11.62
IP(EA), eV:	-9.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2,9-bis(trichloromethyl)-1,10-phenanthroline

Drug info:

PubChemData

Smile

COC1(CCN(CC1)C2=CC=CC=C2F)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C4NC(=NC5=O)N)CO)O

DOS

IR

Vibrations