Geometry & MOs

Info

ID:

230276

PubChem CID:

87570560

Reduced:

LiNO3C13H13 (1)

Stoich.:

ABC3D13E13 (1)

Weight, g/mol:

200.104859

ΔHf, kcal/mol:

-82.63

Dipole, Da:

10.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.431476

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid

Drug info:

PubChemData

Smile

[Li].CNC(=O)C=CC=CC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations