Geometry & MOs

Info

ID:	25655
PubChem CID:	627912
Reduced:	SN3O5H9C12 (1)
Stoich.:	AB3C5D9E12 (1)
Weight, g/mol:	304.96631
ΔH_f, kcal/mol:	31.54
Dipole, Da:	8.16
IP(EA), eV:	-9.39(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-methoxy-2-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N=CC2=CC=C(S2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations