Geometry & MOs

Info

ID:

188990

PubChem CID:

77797730

Reduced:

N2F3O5C35H39 (1)

Stoich.:

A2B3C5D35E39 (1)

Weight, g/mol:

524.321435

ΔHf, kcal/mol:

-305.94

Dipole, Da:

4.31

IP(EA), eV:

 -8.72(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-cyclohexa-2,4-dien-1-yl-2-cyclohexylpiperidin-1-yl)-(3,3-difluoro-8-methoxyspiro[1,2-dihydronaphthalene-4,4'-pyrrolidine]-3'-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3CC=C)O)C(=O)C=CC6=CC(=CC=C6)C(F)(F)F

DOS

IR

Vibrations