Geometry & MOs

Info

ID:	411328
PubChem CID:	135084151
Reduced:	C5H6 (3)
Stoich.:	A5B6 (3)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	54.74
Dipole, Da:	1.58
IP(EA), eV:	-8.75(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,7Z)-11-azidoundeca-3,7-dien-2-one

Drug info:

PubChemData

Smile

CCC(=CC1=CC=CC=C1C#CC)CC

DOS

IR

Vibrations