Geometry & MOs

Info

ID:	412799
PubChem CID:	135085728
Reduced:	NO2Cl3C6H6 (1)
Stoich.:	AB2C3D6E6 (1)
Weight, g/mol:	299.99166
ΔH_f, kcal/mol:	-59.78
Dipole, Da:	3.33
IP(EA), eV:	-10.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromoprop-2-enoxy)but-3-enyl]-3-chlorobenzene

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](O2)CN1C(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations