Geometry & MOs

Info

ID:	416335
PubChem CID:	135089348
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	369.166411
ΔH_f, kcal/mol:	-140.72
Dipole, Da:	4.83
IP(EA), eV:	-9.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-[1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)CC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations