Geometry & MOs

Info

ID:	407848
PubChem CID:	135080603
Reduced:	Cl2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-124.59
Dipole, Da:	2.02
IP(EA), eV:	-9.49(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-benzylidenehept-6-en-2-one

Drug info:

PubChemData

Smile

COC(=O)CC(/C(=C/C1=CC(=CC=C1)Cl)/Cl)O

DOS

IR

Vibrations