Geometry & MOs

Info

ID:	168362
PubChem CID:	74957239
Reduced:	O3C22H22 (1)
Stoich.:	A3B22C22 (1)
Weight, g/mol:	297.030504
ΔH_f, kcal/mol:	-70.95
Dipole, Da:	5.16
IP(EA), eV:	-9.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-(3H-[1,3]oxazolo[4,5-b]pyridin-2-ylidene)quinolin-8-one

Drug info:

PubChemData

Smile

CC(=O)C(C(CC(=O)C=CC1=CC=CC=C1)C2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations