Geometry & MOs

Info

ID:	361573
PubChem CID:	127303837
Reduced:	O2F3N5C17H22 (1)
Stoich.:	A2B3C5D17E22 (1)
Weight, g/mol:	398.187339
ΔH_f, kcal/mol:	-199.25
Dipole, Da:	4.66
IP(EA), eV:	-9.75(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCC(NC2=O)C(F)(F)F)C3=NN=CN3C4CC4

DOS

IR

Vibrations