Geometry & MOs

Info

ID:	388762
PubChem CID:	134990133
Reduced:	NO3C18H31 (1)
Stoich.:	AB3C18D31 (1)
Weight, g/mol:	479.151492
ΔH_f, kcal/mol:	-142.18
Dipole, Da:	3.08
IP(EA), eV:	-9.44(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetamido-10-methylacridin-10-ium-3-yl)acetamide;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC(CC)O[C@@H]1C=C(C[C@@H]2[C@H]1N2C(C)(C)C)C(=O)OCC

DOS

IR

Vibrations