Geometry & MOs

Info

ID:	165849
PubChem CID:	74604724
Reduced:	ClNO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	429.157623
ΔH_f, kcal/mol:	-40.47
Dipole, Da:	6.75
IP(EA), eV:	-9.42(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxobutan-2-yl 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C=CC(=O)OCCOC2=CC=C(C=C2)C#N

DOS

IR

Vibrations