Geometry & MOs

Info

ID:	413627
PubChem CID:	135086576
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	68.44
Dipole, Da:	4.19
IP(EA), eV:	-8.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-deca-1,3-diynyl-4-nitrobenzene

Drug info:

PubChemData

Smile

CN=C(C#CC1CC1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations