Geometry & MOs

Info

ID:	207377
PubChem CID:	80389049
Reduced:	F2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	226.116921
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	1.47
IP(EA), eV:	-9.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-3,4-dimethylpentan-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NNC(=N2)CC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations