Geometry & MOs

Info

ID:

81257

PubChem CID:

49854517

Reduced:

O3N5C27H35 (1)

Stoich.:

A3B5C27D35 (1)

Weight, g/mol:

508.207033

ΔHf, kcal/mol:

-70.38

Dipole, Da:

7.29

IP(EA), eV:

 -8.53(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-5,7-dimethyl-2-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC2=C(C1C)C(=NC(=O)N2CC=C)N3CCN(CC3)CCC4=CC=CC=C4)C

DOS

IR

Vibrations