Geometry & MOs

Info

ID:	304026
PubChem CID:	124491439
Reduced:	ON5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	196.096026
ΔH_f, kcal/mol:	43.86
Dipole, Da:	2.94
IP(EA), eV:	-8.81(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[(3R)-pyrrolidin-3-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CNC[C@H]1N2C=C(N=N2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations