Geometry & MOs

Info

ID:	14176
PubChem CID:	405825
Reduced:	OCl3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	275.987548
ΔH_f, kcal/mol:	-38.43
Dipole, Da:	4.35
IP(EA), eV:	-9.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,4-trichloro-1-(2,5-dimethylphenyl)but-3-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CC(=C(Cl)Cl)Cl

DOS

IR

Vibrations