Geometry & MOs

Info

ID:	161671
PubChem CID:	57392295
Reduced:	FN3O3H28C30 (1)
Stoich.:	AB3C3D28E30 (1)
Weight, g/mol:	451.189592
ΔH_f, kcal/mol:	-19.51
Dipole, Da:	5.26
IP(EA), eV:	-8.53(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-oxocyclohexa-2,5-dien-1-ylidene)-11-(2-pyrrolidin-1-ylethoxyamino)-5H-indeno[1,2-c]quinolin-9-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C\4=C2C5=C(/C4=N\OCCN6CCCC6)C=C(C=C5)OC

DOS

IR

Vibrations