Geometry & MOs

Info

ID:	417284
PubChem CID:	135091920
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	378.1591
ΔH_f, kcal/mol:	-40.57
Dipole, Da:	5.09
IP(EA), eV:	-8.65(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-[3-(3-hydroxypropyl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C(N1)CN2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations