Geometry & MOs

Info

ID:	253902
PubChem CID:	103121401
Reduced:	ClSO2N4H11C13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	280.128388
ΔH_f, kcal/mol:	4.24
Dipole, Da:	6.99
IP(EA), eV:	-9.21(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)CN3C(=C(N=N3)C(=O)O)CN)Cl

DOS

IR

Vibrations