Geometry & MOs

Info

ID:	179181
PubChem CID:	76447509
Reduced:	FO2Cl3H6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	299.90924
ΔH_f, kcal/mol:	-109.47
Dipole, Da:	4.79
IP(EA), eV:	-10.35(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trichloro-4-(4-chlorophenyl)-4-hydroxybut-3-en-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=CC(=O)C(Cl)(Cl)Cl)O)F

DOS

IR

Vibrations