Geometry & MOs

Info

ID:	304555
PubChem CID:	124756276
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	290.185509
ΔH_f, kcal/mol:	-16.65
Dipole, Da:	2.56
IP(EA), eV:	-9.38(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(2S)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1)N(C)CC2=NC(=NO2)C(C)C

DOS

IR

Vibrations