Geometry & MOs

Info

ID:	209543
PubChem CID:	80686503
Reduced:	N5C13H23 (1)
Stoich.:	A5B13C23 (1)
Weight, g/mol:	284.069159
ΔH_f, kcal/mol:	41.41
Dipole, Da:	4.09
IP(EA), eV:	-8.65(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CNC1CC2CCC(C1)N2CCC3=NN(C=N3)C

DOS

IR

Vibrations