Geometry & MOs

Info

ID:	361581
PubChem CID:	127303847
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	361.157246
ΔH_f, kcal/mol:	19.43
Dipole, Da:	5.03
IP(EA), eV:	-9.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCC2=NC3=CC=CC=C3O2)C4=NN=CN4C5CC5

DOS

IR

Vibrations