Geometry & MOs

Info

ID:

444248

PubChem CID:

135261850

Reduced:

FON7H24C28 (1)

Stoich.:

ABC7D24E28 (1)

Weight, g/mol:

643.348218

ΔHf, kcal/mol:

124.26

Dipole, Da:

4.6

IP(EA), eV:

 -8.62(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[4-[[4-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CN=C6)/C=C32)F

DOS

IR

Vibrations