Geometry & MOs

Info

ID:	371393
PubChem CID:	127346241
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	393.177645
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	6.51
IP(EA), eV:	-9.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1COCC1CC(=O)NCC2=CN3C=CSC3=N2

DOS

IR

Vibrations