Geometry & MOs

Info

ID:	161826
PubChem CID:	57392789
Reduced:	N3O4H14C16 (2)
Stoich.:	A3B4C14D16 (2)
Weight, g/mol:	334.039672
ΔH_f, kcal/mol:	-157.38
Dipole, Da:	4.76
IP(EA), eV:	-9.01(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-naphthalen-1-yloxynaphthalene-1,4-dione

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)NO)N)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations