Geometry & MOs

Info

ID:	303935
PubChem CID:	124490910
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-186.9
Dipole, Da:	4.66
IP(EA), eV:	-9.66(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[(3S)-piperidin-3-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C2=NOC=C2C(=O)O

DOS

IR

Vibrations