Geometry & MOs

Info

ID:	47902
PubChem CID:	10535783
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	193.056135
ΔH_f, kcal/mol:	-49.43
Dipole, Da:	3.01
IP(EA), eV:	-8.93(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@H](C=C)[C@@H](C(=O)OC)N1C=CC=C1

DOS

IR

Vibrations