Geometry & MOs

Info

ID:	361591
PubChem CID:	127303857
Reduced:	OS2N6C14H18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	77.57
Dipole, Da:	6.75
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CSC2=NN=CS2)C3=NN=CN3C4CC4

DOS

IR

Vibrations