Geometry & MOs

Info

ID:

84743

PubChem CID:

49869565

Reduced:

SO3N4C20H24 (2)

Stoich.:

AB3C4D20E24 (2)

Weight, g/mol:

335.199762

ΔHf, kcal/mol:

-193.57

Dipole, Da:

6.07

IP(EA), eV:

 -8.4(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-(3-methoxyphenyl)pyridin-3-yl]-1,4-diazatricyclo[4.3.1.13,8]undecane

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)SC5=C(S4)C=C(C=C5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations