Geometry & MOs

Info

ID:	412869
PubChem CID:	135085798
Reduced:	ClZnC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	213.971898
ΔH_f, kcal/mol:	64.79
Dipole, Da:	4.82
IP(EA), eV:	-9.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1,1,1-trichlorohept-3-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C#[C-].Cl[Zn+]

DOS

IR

Vibrations