Geometry & MOs

Info

ID:	48313
PubChem CID:	10538824
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	253.032813
ΔH_f, kcal/mol:	-97.2
Dipole, Da:	3.59
IP(EA), eV:	-8.54(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroethylsulfanyl)-4-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)NCCN(C1=CC(=CC=C1)OC)N

DOS

IR

Vibrations