Geometry & MOs

Info

ID:	207261
PubChem CID:	80367860
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	240.085855
ΔH_f, kcal/mol:	-104.86
Dipole, Da:	9.29
IP(EA), eV:	-10.25(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-4-hydroxy-1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(=O)NC(C)(C)CC(=O)O

DOS

IR

Vibrations