Geometry & MOs

Info

ID:	19226
PubChem CID:	558385
Reduced:	ClO2F3N3C29H31 (1)
Stoich.:	AB2C3D3E29F31 (1)
Weight, g/mol:	545.205689
ΔH_f, kcal/mol:	-164.3
Dipole, Da:	6.44
IP(EA), eV:	-8.65(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-10-hydroxy-1-(5-pyrrolidin-1-ylpentylimino)-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-acridin-9-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCCCCN=C2CC(CC3=C2C(=O)C4=C(N3O)C=CC(=C4)Cl)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations