Geometry & MOs

Info

ID:	253498
PubChem CID:	103118796
Reduced:	SO2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	-15.76
Dipole, Da:	4.55
IP(EA), eV:	-8.52(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C2=NN(C=C2)C)C3CCS(=O)(=O)C3)N

DOS

IR

Vibrations