Geometry & MOs

Info

ID:	421931
PubChem CID:	135116860
Reduced:	ON5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	378.1591
ΔH_f, kcal/mol:	-15.11
Dipole, Da:	3.85
IP(EA), eV:	-9.03(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations