Geometry & MOs

Info

ID:	254668
PubChem CID:	103126851
Reduced:	ClSO2N4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	-1.95
Dipole, Da:	3.39
IP(EA), eV:	-9.46(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=CC=C(S2)Cl)C3CCCN3

DOS

IR

Vibrations