Geometry & MOs

Info

ID:	73932
PubChem CID:	48421176
Reduced:	SN3O5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	316.085935
ΔH_f, kcal/mol:	-50.31
Dipole, Da:	10.22
IP(EA), eV:	-8.99(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5-fluoro-2-nitrophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

COCCOC1=CC2=C(C=C1/C=C\3/C(=O)N(C(=C(C#N)C#N)S3)CC=C)OCO2

DOS

IR

Vibrations