Geometry & MOs

Info

ID:	413710
PubChem CID:	135086660
Reduced:	O2F3H11C13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-225.11
Dipole, Da:	5.67
IP(EA), eV:	-10.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)heptane-2,6-dione

Drug info:

PubChemData

Smile

C1CC(=O)C(C1=O)CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations