Geometry & MOs

Info

ID:	52005
PubChem CID:	12014776
Reduced:	N2O6C19H28 (1)
Stoich.:	A2B6C19D28 (1)
Weight, g/mol:	229.056135
ΔH_f, kcal/mol:	-232.15
Dipole, Da:	2.84
IP(EA), eV:	-9.01(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-prop-2-ynylsulfanylquinolin-2-one

Drug info:

PubChemData

Smile

CCOC(C)C1=C(NC(=C1)C=O)C(C)CN(C)/C(=C\C(=O)OC)/C(=O)OC

DOS

IR

Vibrations