Geometry & MOs

Info

ID:	284986
PubChem CID:	104088251
Reduced:	OSN5C12H21 (1)
Stoich.:	ABC5D12E21 (1)
Weight, g/mol:	281.105879
ΔH_f, kcal/mol:	-23.1
Dipole, Da:	4.21
IP(EA), eV:	-8.96(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SC(C)CO)N2CCCC2

DOS

IR

Vibrations