Geometry & MOs

Info

ID:	407018
PubChem CID:	135079148
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	247.0667
ΔH_f, kcal/mol:	29.95
Dipole, Da:	3.49
IP(EA), eV:	-9.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-8-ethyl-2-sulfanyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CN\1CCC2=CC=CC=C2/C1=C\C(=O)C3=CC=CC=C3

DOS

IR

Vibrations