Geometry & MOs

Info

ID:

326111

PubChem CID:

126686515

Reduced:

PC2O2F3H3 (1)

Stoich.:

AB2C2D3E3 (1)

Weight, g/mol:

154.146999

ΔHf, kcal/mol:

-267.59

Dipole, Da:

4.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756162

Charge, e:

 0

Chem-info

IUPAC name:

2-methylbutane;1-methylimidazole

Drug info:

PubChemData

Smile

C[P+](=O)OC(F)(F)F

DOS

IR

Vibrations