Geometry & MOs

Info

ID:	327173
PubChem CID:	126689148
Reduced:	FON4H17C19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	354.03792
ΔH_f, kcal/mol:	-11.05
Dipole, Da:	3.1
IP(EA), eV:	-8.7(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-bromo-7-fluoro-4-(propan-2-ylamino)quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CN=C(C=C4)F

DOS

IR

Vibrations