Geometry & MOs

Info

ID:	57353
PubChem CID:	22395723
Reduced:	N2H7C10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	251.201105
ΔH_f, kcal/mol:	159.74
Dipole, Da:	5.05
IP(EA), eV:	-9.75(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(9E,12E)-hexadeca-9,12-dienoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=NN=C2C3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations