Geometry & MOs

Info

ID:	327196
PubChem CID:	126689190
Reduced:	FPO3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	336.04734
ΔH_f, kcal/mol:	-209.56
Dipole, Da:	2.81
IP(EA), eV:	-9.42(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCP(=O)(O)OC1=CC=CC=C1F

DOS

IR

Vibrations