Geometry & MOs

Info

ID:	130755
PubChem CID:	51099828
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	0.29
Dipole, Da:	5.53
IP(EA), eV:	-8.03(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1CCCC2=C1C=CC(=C2)CNC(=O)CSCC3=CC=CC=N3

DOS

IR

Vibrations