Geometry & MOs

Info

ID:	419752
PubChem CID:	135108939
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	385.119319
ΔH_f, kcal/mol:	-122.67
Dipole, Da:	3.21
IP(EA), eV:	-9.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-2-methylquinolin-4-yl)-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3(CCC3)COC

DOS

IR

Vibrations