Geometry & MOs

Info

ID:	224302
PubChem CID:	85341217
Reduced:	N3O5C12H23 (1)
Stoich.:	A3B5C12D23 (1)
Weight, g/mol:	289.086956
ΔH_f, kcal/mol:	-181.83
Dipole, Da:	3.2
IP(EA), eV:	-9.95(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[2-[methyl(propan-2-yl)amino]ethenyl]naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C(C(OCC)OCC)O)N=[N+]=[N-]

DOS

IR

Vibrations