Geometry & MOs

Info

ID:	284958
PubChem CID:	104085635
Reduced:	BrNOSC11H16 (1)
Stoich.:	ABCDE11F16 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	3.42
IP(EA), eV:	-9.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-2-(1-hydroxypropan-2-ylsulfanyl)quinoline-3-carboximidamide

Drug info:

PubChemData

Smile

CC(CO)SC(CN)C1=CC=C(C=C1)Br

DOS

IR

Vibrations