Geometry & MOs

Info

ID:	253530
PubChem CID:	103119047
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	6.09
IP(EA), eV:	-10.05(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-pentan-3-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations