Geometry & MOs

Info

ID:	190703
PubChem CID:	78044603
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	382.206388
ΔH_f, kcal/mol:	-52.54
Dipole, Da:	6.97
IP(EA), eV:	-8.81(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C1CC(=O)NC1)OC2=CC(=CC3=C2C=CC=N3)C4=CN(N=C4)CCO

DOS

IR

Vibrations