Geometry & MOs

Info

ID:	422665
PubChem CID:	135118213
Reduced:	OF3N3C16H22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	406.201634
ΔH_f, kcal/mol:	-181.92
Dipole, Da:	2.61
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=CC(=C3)C(F)(F)F)CO

DOS

IR

Vibrations