Geometry & MOs

Info

ID:	65415
PubChem CID:	29214885
Reduced:	OSN10C18H28 (1)
Stoich.:	ABC10D18E28 (1)
Weight, g/mol:	261.104817
ΔH_f, kcal/mol:	111.49
Dipole, Da:	3.96
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]thiomorpholin-4-ium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC3=NN=C(O3)C(C)(C)C

DOS

IR

Vibrations