Geometry & MOs

Info

ID:	415233
PubChem CID:	135088225
Reduced:	ClNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	407.185649
ΔH_f, kcal/mol:	-134.22
Dipole, Da:	5.73
IP(EA), eV:	-9.87(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations