Geometry & MOs

Info

ID:	157065
PubChem CID:	56413207
Reduced:	SN4O5C24H32 (1)
Stoich.:	AB4C5D24E32 (1)
Weight, g/mol:	401.171497
ΔH_f, kcal/mol:	-198.84
Dipole, Da:	6.97
IP(EA), eV:	-9.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC(C)C(=O)OC)C(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCCC3

DOS

IR

Vibrations