Geometry & MOs

Info

ID:

232885

PubChem CID:

87577387

Reduced:

N4C65H100 (1)

Stoich.:

A4B65C100 (1)

Weight, g/mol:

586.09772

ΔHf, kcal/mol:

-20.61

Dipole, Da:

1.31

IP(EA), eV:

 -7.53(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(6-bromopyridin-2-yl)methyl]morpholine;1-(6-bromopyridin-2-yl)-3-methyl-1-morpholin-4-ylbutan-2-ol

Drug info:

PubChemData

Smile

CCCCCN(CCCCC)C1=C(C(=C(C2=C1C3=CC=CC=C3C24C5=CC=CC=C5C6=CC=CC=C46)N(CCCCC)CCCCC)N(CCCCC)CCCCC)N(CCCCC)CCCCC

DOS

IR

Vibrations