Geometry & MOs

Info

ID:

15490

PubChem CID:

442502

Reduced:

O2N3C30H49 (1)

Stoich.:

A2B3C30D49 (1)

Weight, g/mol:

483.382478

ΔHf, kcal/mol:

-98.0

Dipole, Da:

5.67

IP(EA), eV:

 -8.47(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4S,6R,6'R,8S,9R,11S)-6'-[[(4aR,5R,7S,8aS)-1-acetyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl]methyl]-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]-3'-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2C[C@]3([C@@H]4C[C@H]2[C@H](C1)N(C4)C)C(=O)CC[C@@H](N3)C[C@H]5C[C@@H](C[C@H]6[C@@H]5CCCN6C(=O)C)C

DOS

IR

Vibrations