Geometry & MOs

Info

ID:	25903
PubChem CID:	633049
Reduced:	BrNOH5C6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	374.087827
ΔH_f, kcal/mol:	-16.92
Dipole, Da:	2.94
IP(EA), eV:	-9.42(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-8-nitro-4-[2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)Br)Br

DOS

IR

Vibrations