Geometry & MOs

Info

ID:	337191
PubChem CID:	127256756
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	484.115818
ΔH_f, kcal/mol:	-158.1
Dipole, Da:	4.92
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,9,10-triacetyloxyperylen-3-yl) acetate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)CCC(OC)OC)C#N)OC)OC

DOS

IR

Vibrations