Geometry & MOs

Info

ID:

415561

PubChem CID:

135088557

Reduced:

FN8O8C38H49 (1)

Stoich.:

AB8C8D38E49 (1)

Weight, g/mol:

383.209658

ΔHf, kcal/mol:

-349.83

Dipole, Da:

16.32

IP(EA), eV:

 -8.66(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)COCC4=NC5=C(N4)C=C(C=C5)F)O

DOS

IR

Vibrations