Geometry & MOs

Info

ID:	170996
PubChem CID:	75310042
Reduced:	NOC25H41 (1)
Stoich.:	ABC25D41 (1)
Weight, g/mol:	280.041882
ΔH_f, kcal/mol:	-83.82
Dipole, Da:	4.14
IP(EA), eV:	-9.52(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylidene-8-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]quinolin-1-one

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)NCC1=CC=CC=C1

DOS

IR

Vibrations