Geometry & MOs

Info

ID:

449523

PubChem CID:

135299299

Reduced:

N2O3C29H36 (1)

Stoich.:

A2B3C29D36 (1)

Weight, g/mol:

526.319543

ΔHf, kcal/mol:

-88.94

Dipole, Da:

4.83

IP(EA), eV:

 -7.98(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R)-4-[4-[4-(dimethylamino)phenoxy]phenyl]-8-[1-(3-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

CCCC1(C(C2CCC1C2)C)C3CC(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)N(C)C

DOS

IR

Vibrations