Geometry & MOs

Info

ID:	391784
PubChem CID:	135009582
Reduced:	NO2H15C20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-15.72
Dipole, Da:	3.05
IP(EA), eV:	-8.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-11-(3,3-dimethyloxiran-2-yl)-5,9-dimethylundeca-4,8-dienenitrile

Drug info:

PubChemData

Smile

CC1C(=O)N2CC3=CC=CC=C3C4=CC5=CC=CC=C5C(=C42)O1

DOS

IR

Vibrations