Geometry & MOs

Info

ID:	171641
PubChem CID:	75409238
Reduced:	OSN4H28C31 (1)
Stoich.:	ABC4D28E31 (1)
Weight, g/mol:	506.111185
ΔH_f, kcal/mol:	125.15
Dipole, Da:	5.16
IP(EA), eV:	-8.64(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

DOS

IR

Vibrations