Geometry & MOs

Info

ID:	377842
PubChem CID:	134223907
Reduced:	OF3N3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	495.140533
ΔH_f, kcal/mol:	-157.47
Dipole, Da:	9.81
IP(EA), eV:	-9.42(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(1,10-phenanthrolin-2-yl)-2-phenylmethoxyphenyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CN\2CCN/C2=C\C(=O)C(F)(F)F

DOS

IR

Vibrations