Geometry & MOs

Info

ID:	135737
PubChem CID:	51923669
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	355.134362
ΔH_f, kcal/mol:	5.55
Dipole, Da:	10.55
IP(EA), eV:	-8.63(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)OC)OC)NC(=O)C2=CC=CC=C2N3C=NN=N3

DOS

IR

Vibrations