Geometry & MOs

Info

ID:

187491

PubChem CID:

77580226

Reduced:

O11C34H56 (1)

Stoich.:

A11B34C56 (1)

Weight, g/mol:

648.296615

ΔHf, kcal/mol:

-565.05

Dipole, Da:

3.64

IP(EA), eV:

 -9.56(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)OC(=O)C(C(C(C(C(CO)O)O)O)O)O)C)C)C)OC1

DOS

IR

Vibrations