Geometry & MOs

Info

ID:	253019
PubChem CID:	103115526
Reduced:	SO2N6H10C11 (1)
Stoich.:	AB2C6D10E11 (1)
Weight, g/mol:	278.112738
ΔH_f, kcal/mol:	50.83
Dipole, Da:	9.89
IP(EA), eV:	-9.72(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(methylamino)-3-oxopropyl]-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=C(N=NN2CC3=CSC=N3)C(=O)O

DOS

IR

Vibrations