Geometry & MOs

Info

ID:

52580

PubChem CID:

12015505

Reduced:

NOC21H31 (1)

Stoich.:

ABC21D31 (1)

Weight, g/mol:

405.266779

ΔHf, kcal/mol:

-49.01

Dipole, Da:

3.59

IP(EA), eV:

 -8.83(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5R)-2-[2-[(1R,8S,11R)-11-(2-methoxyphenyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]propan-2-yl]-5-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@@]3(C[C@H]2C4=CC=CC=C43)C

DOS

IR

Vibrations