Geometry & MOs

Info

ID:	417125
PubChem CID:	135091405
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	376.162329
ΔH_f, kcal/mol:	-126.52
Dipole, Da:	2.09
IP(EA), eV:	-8.83(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-1H-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCCC2=CSC(=N2)N

DOS

IR

Vibrations