Geometry & MOs

Info

ID:

175882

PubChem CID:

75965421

Reduced:

O6C37H58 (1)

Stoich.:

A6B37C58 (1)

Weight, g/mol:

753.369764

ΔHf, kcal/mol:

-346.2

Dipole, Da:

3.31

IP(EA), eV:

 -9.02(0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-indol-6-yl]-5-[[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenoxy]methyl]-5-methyl-1,3,2-dioxaborolan-4-one

Drug info:

PubChemData

Smile

CC(C)CCC=C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5CCC(C(O5)COC(=O)C)OC(=O)C)C)C

DOS

IR

Vibrations