Geometry & MOs

Info

ID:	276711
PubChem CID:	103824771
Reduced:	OSF3N4C6H7 (1)
Stoich.:	ABC3D4E6F7 (1)
Weight, g/mol:	224.09094
ΔH_f, kcal/mol:	-152.29
Dipole, Da:	2.36
IP(EA), eV:	-10.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=NNC(=N1)C(=O)NCCSC(F)(F)F

DOS

IR

Vibrations