Geometry & MOs

Info

ID:	32319
PubChem CID:	6436511
Reduced:	NO2Br3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	296.198759
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	1.42
IP(EA), eV:	-8.82(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(2E)-3,7-dimethylocta-2,6-dienyl]propanedioate

Drug info:

PubChemData

Smile

CC/C(=C/C1=C(C(=C(C=C1Br)Br)N)Br)/C(=O)O

DOS

IR

Vibrations