Geometry & MOs

Info

ID:

49797

PubChem CID:

11533838

Reduced:

SiN5O6C25H35 (1)

Stoich.:

AB5C6D25E35 (1)

Weight, g/mol:

529.316524

ΔHf, kcal/mol:

-169.75

Dipole, Da:

1.38

IP(EA), eV:

 -8.77(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)-6-(2-propan-2-ylpyridin-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1OC2=CC=C(O2)C(=O)NC3=C(N=C(N=C3OC)OCCCN(C)C)OC)[Si](C)(C)C

DOS

IR

Vibrations