Geometry & MOs

Info

ID:

81347

PubChem CID:

49854627

Reduced:

O5N6C30H36 (1)

Stoich.:

A5B6C30D36 (1)

Weight, g/mol:

491.28964

ΔHf, kcal/mol:

-122.66

Dipole, Da:

3.02

IP(EA), eV:

 -8.95(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5,7-dimethyl-2-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1-propyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=NC(=O)N2CCCN(C)C)NNC(=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations