Geometry & MOs

Info

ID:

81155

PubChem CID:

49854412

Reduced:

N5O5H23C28 (1)

Stoich.:

A5B5C23D28 (1)

Weight, g/mol:

605.263819

ΔHf, kcal/mol:

-53.07

Dipole, Da:

7.76

IP(EA), eV:

 -9.46(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2C(=C1C3=CC=CC=C3)C(=NC(=O)N2C4=CC=CC=C4)NNC(=O)C5=CC=CO5)C

DOS

IR

Vibrations