Geometry & MOs

Info

ID:	253493
PubChem CID:	103118788
Reduced:	NC2H3 (5)
Stoich.:	AB2C3 (5)
Weight, g/mol:	278.149124
ΔH_f, kcal/mol:	73.98
Dipole, Da:	1.9
IP(EA), eV:	-8.37(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C2=NN(C=C2)C)C)N

DOS

IR

Vibrations