Geometry & MOs

Info

ID:	182513
PubChem CID:	76898454
Reduced:	OSN4C6H14 (1)
Stoich.:	ABC4D6E14 (1)
Weight, g/mol:	160.096026
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	3.63
IP(EA), eV:	-8.92(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-amino-2-hydroxypropyl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

CSCCC(C1NC(=O)NN1)N

DOS

IR

Vibrations