Geometry & MOs

Info

ID:	69334
PubChem CID:	46530725
Reduced:	SN2F3O3H13C15 (1)
Stoich.:	AB2C3D3E13F15 (1)
Weight, g/mol:	400.151096
ΔH_f, kcal/mol:	-178.6
Dipole, Da:	3.82
IP(EA), eV:	-9.6(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-diphenyl-1,2,4-triazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations