Geometry & MOs

Info

ID:

187496

PubChem CID:

77581120

Reduced:

Cl2N2O5C26H30 (1)

Stoich.:

A2B2C5D26E30 (1)

Weight, g/mol:

616.135476

ΔHf, kcal/mol:

-197.84

Dipole, Da:

1.24

IP(EA), eV:

 -8.88(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[5-chloro-2-[3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]benzoyl]pyrrolidin-3-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1CN(CC1O)C(=O)C2=C(C=CC(=C2)Cl)OCC(CN3CCC4(CC3)CC5=C(O4)C=CC(=C5)Cl)O

DOS

IR

Vibrations