Geometry & MOs

Info

ID:

159903

PubChem CID:

57288873

Reduced:

NO4F6H7C10 (1)

Stoich.:

AB4C6D7E10 (1)

Weight, g/mol:

126.065635

ΔHf, kcal/mol:

-439.06

Dipole, Da:

2.22

IP(EA), eV:

-9.73(-1.7)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1,3-difluoro-2-(fluoromethyl)-2-methylpropane

Drug info:

PubChemData

Smile

COC1=C(NC(=C(C1=O)C(=O)OC)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations