Geometry & MOs

Info

ID:

146544

PubChem CID:

53703751

Reduced:

IO2N3C6H9 (1)

Stoich.:

AB2C3D6E9 (1)

Weight, g/mol:

118.09938

ΔHf, kcal/mol:

57.33

Dipole, Da:

2.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757816

Charge, e:

 0

Chem-info

IUPAC name:

3-ethoxy-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC[N+]1(C(=CN=C1I)[N+](=O)[O-])C

DOS

IR

Vibrations