Geometry & MOs

Info

ID:	303936
PubChem CID:	124490915
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-46.26
Dipole, Da:	6.57
IP(EA), eV:	-9.44(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=NN1[C@H]2CCCNC2)C(=O)O

DOS

IR

Vibrations