Geometry & MOs

Info

ID:	21467
PubChem CID:	588481
Reduced:	SN3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	185.098669
ΔH_f, kcal/mol:	23.68
Dipole, Da:	2.12
IP(EA), eV:	-8.93(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1,2,4-triazaspiro[4.5]dec-3-ene-3-thiol

Drug info:

PubChemData

Smile

CN1C(=NC2(N1)CCCCC2)S

DOS

IR

Vibrations