Geometry & MOs

Info

ID:	419189
PubChem CID:	135107690
Reduced:	ON3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	404.222369
ΔH_f, kcal/mol:	7.76
Dipole, Da:	4.32
IP(EA), eV:	-8.66(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(3-pyrrolidin-1-ylbutyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC3=CC=C(C=C3)CN4C=CC=N4

DOS

IR

Vibrations