Geometry & MOs

Info

ID:	413709
PubChem CID:	135086659
Reduced:	ClO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	256.071114
ΔH_f, kcal/mol:	-90.35
Dipole, Da:	0.54
IP(EA), eV:	-9.48(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations