Geometry & MOs

Info

ID:

394856

PubChem CID:

135023982

Reduced:

N2O4C15H19 (1)

Stoich.:

A2B4C15D19 (1)

Weight, g/mol:

290.126657

ΔHf, kcal/mol:

-106.25

Dipole, Da:

7.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.094550

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (E)-3-(4-ethoxy-4-hydroxypyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CN=C2C=CC=C[NH+]2C1(O)OCC

DOS

IR

Vibrations