Geometry & MOs

Info

ID:	254160
PubChem CID:	103123170
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-90.48
Dipole, Da:	7.22
IP(EA), eV:	-9.29(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-piperidin-4-yl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OCCN1C(=C(N=N1)C(=O)O)C2CCNCC2

DOS

IR

Vibrations