Geometry & MOs

Info

ID:	45760
PubChem CID:	10517358
Reduced:	OS3C13H18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	286.050905
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	2.97
IP(EA), eV:	-8.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-4,5-dimethyl-1-nitroacridine

Drug info:

PubChemData

Smile

CCSC(C1=CC=CC=C1)(C(=O)SC)SCC

DOS

IR

Vibrations