Geometry & MOs

Info

ID:	417660
PubChem CID:	135102400
Reduced:	FN3O4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	406.1904
ΔH_f, kcal/mol:	-153.61
Dipole, Da:	5.53
IP(EA), eV:	-8.89(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCC2(C3CC4CC(C3)CC2C4)O)C5=CC(=C(C=C5)F)OC

DOS

IR

Vibrations