Geometry & MOs

Info

ID:	253961
PubChem CID:	103121848
Reduced:	SO3N6H10C11 (1)
Stoich.:	AB3C6D10E11 (1)
Weight, g/mol:	283.16444
ΔH_f, kcal/mol:	-16.0
Dipole, Da:	7.33
IP(EA), eV:	-9.52(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[2-(dipropylamino)-2-oxoethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=NC(=CC(=O)N21)CN3C(=C(N=N3)C(=O)O)CN

DOS

IR

Vibrations