Geometry & MOs

Info

ID:	328383
PubChem CID:	126705381
Reduced:	O10C19H28 (2)
Stoich.:	A10B19C28 (2)
Weight, g/mol:	313.082682
ΔH_f, kcal/mol:	-928.87
Dipole, Da:	1.93
IP(EA), eV:	-9.94(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine

Drug info:

Smile

C[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OCC=C)OC(=O)C)OC(=O)C)C)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations