Geometry & MOs

Info

ID:	441666
PubChem CID:	135239524
Reduced:	O2N5C28H44 (1)
Stoich.:	A2B5C28D44 (1)
Weight, g/mol:	406.214409
ΔH_f, kcal/mol:	-7.53
Dipole, Da:	2.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.945837
Charge, e:	0

Chem-info

IUPAC name:

(10-hexanoyloxyanthracen-9-yl) hexanoate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CCCOCCCCCC[N+]2=CC=CC(=C2)CCCOCCCCCCN=[N+]=[N-]

DOS

IR

Vibrations