Geometry & MOs

Info

ID:	225152
PubChem CID:	85742024
Reduced:	NOH11C15 (2)
Stoich.:	ABC11D15 (2)
Weight, g/mol:	412.096026
ΔH_f, kcal/mol:	79.57
Dipole, Da:	6.96
IP(EA), eV:	-8.38(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3,4-dicyanophenoxy)naphthalen-1-yl]oxybenzene-1,2-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)COCCCOC5=CC=C(C=C5)C=C(C#N)C#N

DOS

IR

Vibrations