Geometry & MOs

Info

ID:	126561
PubChem CID:	50968114
Reduced:	ClON4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	61.23
Dipole, Da:	4.71
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-4-[[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C)CC2=CC=CN2C3=NC=C(C=C3)Cl

DOS

IR

Vibrations