Geometry & MOs

Info

ID:

164909

PubChem CID:

74469569

Reduced:

ON3C14H21 (2)

Stoich.:

AB3C14D21 (2)

Weight, g/mol:

539.334579

ΔHf, kcal/mol:

-38.73

Dipole, Da:

8.38

IP(EA), eV:

 -9.4(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-(1-cyclopentyltetrazol-5-yl)propyl-[(2-methoxyphenyl)methyl]-[(7-oxo-3,4a,5,5a,6,8,9,9a,10,10a-decahydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCC(C1=NN=NN1CC2CCCO2)N(CCC3=CC=CC=C3)CC4CC5CCC(CC5NC4=O)C

DOS

IR

Vibrations