Geometry & MOs

Info

ID:	385273
PubChem CID:	134978664
Reduced:	BC12H21 (1)
Stoich.:	AB12C21 (1)
Weight, g/mol:	135.104799
ΔH_f, kcal/mol:	-46.6
Dipole, Da:	0.88
IP(EA), eV:	-9.38(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E)-nona-2,4-dienenitrile

Drug info:

PubChemData

Smile

B12CC3CC(C1)CC(C3)C2CCC

DOS

IR

Vibrations