Geometry & MOs

Info

ID:	161253
PubChem CID:	57391166
Reduced:	ClON4H15C18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	187.1361
ΔH_f, kcal/mol:	61.04
Dipole, Da:	6.36
IP(EA), eV:	-8.52(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,6E,9E)-trideca-2,4,6,9-tetraenenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C3=C(NN=C3N=C12)C)C(C4=CC=CC=N4)O)Cl

DOS

IR

Vibrations