Geometry & MOs

Info

ID:	27895
PubChem CID:	824050
Reduced:	BrO2N5C10H10 (1)
Stoich.:	AB2C5D10E10 (1)
Weight, g/mol:	267.061946
ΔH_f, kcal/mol:	35.56
Dipole, Da:	8.2
IP(EA), eV:	-9.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CN1N=C(N=N1)NC(=O)C2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations