Geometry & MOs

Info

ID:	223349
PubChem CID:	85334899
Reduced:	ON4H8C9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	55.44
Dipole, Da:	6.7
IP(EA), eV:	-9.65(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodeca-2,6,8,10-tetraenamide

Drug info:

PubChemData

Smile

CCC1=C(C2=NC=NC(=O)C2N1)C#N

DOS

IR

Vibrations