Geometry & MOs

Info

ID:

146050

PubChem CID:

53628125

Reduced:

OC5H5 (1)

Stoich.:

AB5C5 (1)

Weight, g/mol:

96.044939

ΔHf, kcal/mol:

101.96

Dipole, Da:

3.08

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.690929

Charge, e:

0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC#CO[CH]1

DOS

IR

Vibrations