Geometry & MOs

Info

ID:	253575
PubChem CID:	103119369
Reduced:	ON2H5C7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	251.113073
ΔH_f, kcal/mol:	43.11
Dipole, Da:	3.96
IP(EA), eV:	-9.36(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(=O)CC(=O)C3=NC=CN=C3

DOS

IR

Vibrations