Geometry & MOs

Info

ID:	18069
PubChem CID:	536414
Reduced:	ClN2O2F3C27H28 (1)
Stoich.:	AB2C2D3E27F28 (1)
Weight, g/mol:	504.17914
ΔH_f, kcal/mol:	-177.37
Dipole, Da:	5.48
IP(EA), eV:	-9.42(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCN=C1CC(CC2=C1C(=O)C3=C(N2O)C=CC(=C3)Cl)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations