Geometry & MOs

Info

ID:	427050
PubChem CID:	135155250
Reduced:	BrN5C6H6 (1)
Stoich.:	AB5C6D6 (1)
Weight, g/mol:	378.151034
ΔH_f, kcal/mol:	114.87
Dipole, Da:	3.62
IP(EA), eV:	-10.02(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-fluoro-8-methoxy-1-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

C1=C(C=NC(=N1)CCN=[N+]=[N-])Br

DOS

IR

Vibrations