Geometry & MOs

Info

ID:	441353
PubChem CID:	135234301
Reduced:	S2F3O3N8H25C27 (1)
Stoich.:	A2B3C3D8E25F27 (1)
Weight, g/mol:	274.95575
ΔH_f, kcal/mol:	-135.26
Dipole, Da:	6.18
IP(EA), eV:	-9.42(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

C=NC1=CC=CC(=N1)CC(=O)NC2=NN=C(S2)[C@H]3CCC[C@@H](C3)C4=NN=C(S4)NC(=O)CC5=CC(=CC=C5)OC(F)(F)F

DOS

IR

Vibrations