Geometry & MOs

Info

ID:	417873
PubChem CID:	135102944
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-187.22
Dipole, Da:	2.92
IP(EA), eV:	-9.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylquinolin-7-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations