Geometry & MOs

Info

ID:	408223
PubChem CID:	135080985
Reduced:	NO4C8H13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	299.99166
ΔH_f, kcal/mol:	-177.79
Dipole, Da:	1.98
IP(EA), eV:	-8.46(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]benzene

Drug info:

PubChemData

Smile

CCCNC(C(C)C(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations