Geometry & MOs

Info

ID:	421353
PubChem CID:	135115825
Reduced:	N4O9C35H40 (1)
Stoich.:	A4B9C35D40 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-263.42
Dipole, Da:	5.86
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)CC5=CC(=C(C=C5)OCC(=O)N6CCOCC6)OC

DOS

IR

Vibrations