Geometry & MOs

Info

ID:	326569
PubChem CID:	126687797
Reduced:	NF3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	312.02224
ΔH_f, kcal/mol:	-165.7
Dipole, Da:	5.29
IP(EA), eV:	-8.66(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iodo 5,5-dimethyl-4-oxooctanoate

Drug info:

PubChemData

Smile

CCCN(CC)CC1=C(C=CC2=C1CCC2)C(F)(F)F

DOS

IR

Vibrations