Geometry & MOs

Info

ID:	73942
PubChem CID:	48421233
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-46.07
Dipole, Da:	5.57
IP(EA), eV:	-8.48(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations