Geometry & MOs

Info

ID:	421597
PubChem CID:	135116281
Reduced:	F2O2N4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-120.39
Dipole, Da:	5.45
IP(EA), eV:	-9.4(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=C(C=C(C=N2)F)F

DOS

IR

Vibrations