Geometry & MOs

Info

ID:	3700
PubChem CID:	10028
Reduced:	NO2H3C8 (1)
Stoich.:	AB2C3D8 (1)
Weight, g/mol:	145.016378
ΔH_f, kcal/mol:	75.89
Dipole, Da:	2.34
IP(EA), eV:	-10.83(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyanohept-2-en-4,6-diynoic acid

Drug info:

PubChemData

Smile

C(=CC(=O)O)C#CC#CC#N

DOS

IR

Vibrations