Geometry & MOs

Info

ID:	216062
PubChem CID:	85085652
Reduced:	O2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	221.05105
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	5.7
IP(EA), eV:	-9.18(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-3-(sulfanylmethyl)-3H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(=CC1=NC=NC=C1)N

DOS

IR

Vibrations