Geometry & MOs

Info

ID:

50838

PubChem CID:

12013427

Reduced:

ON2C9H11 (1)

Stoich.:

AB2C9D11 (1)

Weight, g/mol:

220.109944

ΔHf, kcal/mol:

31.26

Dipole, Da:

4.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.887671

Charge, e:

 0

Chem-info

IUPAC name:

methyl (E)-3-(2-propoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1[N+]#N

DOS

IR

Vibrations