Geometry & MOs

Info

ID:	217216
PubChem CID:	85087448
Reduced:	ClN5O6C11H11 (1)
Stoich.:	AB5C6D11E11 (1)
Weight, g/mol:	343.133907
ΔH_f, kcal/mol:	-129.16
Dipole, Da:	3.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.869050
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(1-methylcyclohexyl)-2,3,4,9a-tetrahydroacridine-1,9-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2C(=O)C(C(=NC2=[N+](C1=O)C)NC(=O)CCl)[N+](=O)[O-]

DOS

IR

Vibrations