Geometry & MOs

Info

ID:	361577
PubChem CID:	127303843
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	69.1
Dipole, Da:	6.43
IP(EA), eV:	-9.61(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzoylpyrrolidin-2-yl)-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CSC(=N2)C3CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations