Geometry & MOs

Info

ID:	225277
PubChem CID:	85753031
Reduced:	IOC8H11 (1)
Stoich.:	ABC8D11 (1)
Weight, g/mol:	322.025148
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	5.69
IP(EA), eV:	-9.41(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptanoate

Drug info:

PubChemData

Smile

CC1CC(=C(C(=O)C1)I)C

DOS

IR

Vibrations