Geometry & MOs

Info

ID:	419837
PubChem CID:	135109321
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	12.14
Dipole, Da:	4.22
IP(EA), eV:	-8.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,8-dimethylquinolin-3-yl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=NC(=N1)N[C@@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations