Geometry & MOs

Info

ID:	414508
PubChem CID:	135087467
Reduced:	NO3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-142.26
Dipole, Da:	2.59
IP(EA), eV:	-8.58(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC)OC

DOS

IR

Vibrations