Geometry & MOs

Info

ID:

232144

PubChem CID:

87575597

Reduced:

SN5O5C29H35 (1)

Stoich.:

AB5C5D29E35 (1)

Weight, g/mol:

499.356263

ΔHf, kcal/mol:

-157.28

Dipole, Da:

6.46

IP(EA), eV:

 -8.82(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3'S,5R)-1'-[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-2-propan-2-ylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-carbaldehyde

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCC2=C(NC3=C2C(=O)CCC3)/C=C/4\C5=C(C=CC(=C5)S(=O)(=O)N6CCCC6)NC4=O

DOS

IR

Vibrations