Geometry & MOs

Info

ID:	254186
PubChem CID:	103123285
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-58.73
Dipole, Da:	8.78
IP(EA), eV:	-9.05(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylbutyl)-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)N1C(=C(N=N1)C(=O)O)C2CCNCC2

DOS

IR

Vibrations