Geometry & MOs

Info

ID:	274414
PubChem CID:	103809142
Reduced:	FO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	323.102766
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	3.82
IP(EA), eV:	-9.34(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C(=O)NC2=C(C=CC(=C2)C(=O)N)F

DOS

IR

Vibrations