Geometry & MOs

Info

ID:

233657

PubChem CID:

91148216

Reduced:

SF3N5O10C40H76 (1)

Stoich.:

AB3C5D10E40F76 (1)

Weight, g/mol:

476.312441

ΔHf, kcal/mol:

-691.48

Dipole, Da:

8.72

IP(EA), eV:

 -9.36(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-cyclohexa-1,3-dien-1-ylpiperazin-1-yl)-6-methylpyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOCCCN(C)C(=O)C.CC(=O)N(C)CC#N.CC(=O)N(C)CC(=O)OC.CC(=O)N(C)CC(F)(F)F.CC(=O)OC.CC(=O)SC

DOS

IR

Vibrations