Geometry & MOs

Info

ID:	52013
PubChem CID:	12014785
Reduced:	NOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	45.29
Dipole, Da:	3.32
IP(EA), eV:	-8.7(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-6-methyl-2H-thiopyrano[3,2-c]quinolin-5-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3=C(C1=O)C=CCS3

DOS

IR

Vibrations