Geometry & MOs

Info

ID:	418741
PubChem CID:	135106674
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	393.169999
ΔH_f, kcal/mol:	-99.65
Dipole, Da:	3.79
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)C2=NN3CC(CNC(=O)C3=C2)O)N4CCCC4

DOS

IR

Vibrations