Geometry & MOs

Info

ID:	374754
PubChem CID:	131342633
Reduced:	NF2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	282.00039
ΔH_f, kcal/mol:	-154.46
Dipole, Da:	6.77
IP(EA), eV:	-10.1(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CC1[C@@H](C2=C(C(=NC=C2)C(F)(F)F)F)N

DOS

IR

Vibrations