Geometry & MOs

Info

ID:

187494

PubChem CID:

77581118

Reduced:

N3O6C33H55 (1)

Stoich.:

A3B6C33D55 (1)

Weight, g/mol:

634.146041

ΔHf, kcal/mol:

-310.65

Dipole, Da:

2.55

IP(EA), eV:

 -8.71(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-chloro-2-[3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCOCC12C(C(C(O1)CNCCN3CCCC3)OC(=O)NC4=CC=C(C=C4)C)OC(O2)(C)C

DOS

IR

Vibrations