Geometry & MOs

Info

ID:	406424
PubChem CID:	135077534
Reduced:	BrO2Cl3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-99.17
Dipole, Da:	3.96
IP(EA), eV:	-10.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-(3-methylphenyl)-7-oxohept-5-enal

Drug info:

PubChemData

Smile

CCC(/C(=C/C(=O)C(Cl)(Cl)Cl)/OC)Br

DOS

IR

Vibrations