Geometry & MOs

Info

ID:	420841
PubChem CID:	135114913
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	370.125275
ΔH_f, kcal/mol:	-88.53
Dipole, Da:	6.42
IP(EA), eV:	-8.8(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3CC(=O)NC4=CC=CC=C34)C5=C1C=CS5

DOS

IR

Vibrations