Geometry & MOs

Info

ID:	20176
PubChem CID:	581989
Reduced:	OSN3C9H17 (1)
Stoich.:	ABC3D9E17 (1)
Weight, g/mol:	215.109233
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	1.78
IP(EA), eV:	-9.14(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-sulfanyl-1,2,4-triazaspiro[4.5]dec-3-en-2-yl)ethanol

Drug info:

PubChemData

Smile

C1CCC2(CC1)NN(C(=N2)S)CCO

DOS

IR

Vibrations