Geometry & MOs

Info

ID:

146046

PubChem CID:

53627908

Reduced:

O2C4H7 (1)

Stoich.:

A2B4C7 (1)

Weight, g/mol:

98.060589

ΔHf, kcal/mol:

-38.3

Dipole, Da:

2.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759570

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C[CH]OOC1

DOS

IR

Vibrations