Geometry & MOs

Info

ID:	415597
PubChem CID:	135088595
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	349.143784
ΔH_f, kcal/mol:	-14.98
Dipole, Da:	3.47
IP(EA), eV:	-8.97(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(C(=O)CC2=CC(=CC=C2)OCCN3C=C(COC4=CC=C(C1)C=C4)N=N3)C

DOS

IR

Vibrations