Geometry & MOs

Info

ID:	399173
PubChem CID:	135038452
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	6.65
IP(EA), eV:	-10.51(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octa-1,7-diynylcyclopentene-1-carbaldehyde

Drug info:

PubChemData

Smile

C=CCOC(=O)C1CCCCCC1=C(C#N)C#N

DOS

IR

Vibrations