Geometry & MOs

Info

ID:	374820
PubChem CID:	131347903
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	202.074228
ΔH_f, kcal/mol:	-67.07
Dipole, Da:	1.87
IP(EA), eV:	-9.33(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-aminoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1C=CC(=C2)Br)C=O

DOS

IR

Vibrations