Geometry & MOs

Info

ID:	271669
PubChem CID:	103687826
Reduced:	OSN4C11H20 (1)
Stoich.:	ABC4D11E20 (1)
Weight, g/mol:	288.104482
ΔH_f, kcal/mol:	-16.19
Dipole, Da:	2.32
IP(EA), eV:	-8.59(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-hydroxypropylsulfanyl)ethylamino]cinnoline-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=N1)NCCSCCCO

DOS

IR

Vibrations