Geometry & MOs

Info

ID:	417543
PubChem CID:	135100835
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-101.92
Dipole, Da:	3.14
IP(EA), eV:	-9.64(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2CC[C@@H]([C@@](C2)(CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations