Geometry & MOs

Info

ID:	253577
PubChem CID:	103119374
Reduced:	ON3C5H7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	8.39
Dipole, Da:	8.74
IP(EA), eV:	-9.76(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(4-methylpentyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations