Geometry & MOs

Info

ID:

166226

PubChem CID:

74652228

Reduced:

N2C8H13 (1)

Stoich.:

A2B8C13 (1)

Weight, g/mol:

157.050084

ΔHf, kcal/mol:

29.19

Dipole, Da:

1.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.955600

Charge, e:

 -1

Chem-info

IUPAC name:

5,5-dimethyl-2-oxooxolane-3-carboxylate

Drug info:

PubChemData

Smile

C1CC([NH2+]C1)C2=CC=CN2

DOS

IR

Vibrations