Geometry & MOs

Info

ID:	416388
PubChem CID:	135089401
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	357.124405
ΔH_f, kcal/mol:	-46.21
Dipole, Da:	6.29
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-1-(6-chloroquinolin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CN1CCCC1CCNC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations