Geometry & MOs

Info

ID:

52578

PubChem CID:

12015502

Reduced:

NOC32H37 (1)

Stoich.:

ABC32D37 (1)

Weight, g/mol:

313.240565

ΔHf, kcal/mol:

32.39

Dipole, Da:

3.16

IP(EA), eV:

 -8.99(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C(C2C3=CC=CC=C3)C=C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations