Geometry & MOs

Info

ID:

441610

PubChem CID:

135237227

Reduced:

N2F5O5C26H29 (1)

Stoich.:

A2B5C5D26E29 (1)

Weight, g/mol:

562.190241

ΔHf, kcal/mol:

-427.11

Dipole, Da:

2.93

IP(EA), eV:

 -8.87(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-[5-(trifluoromethyl)pyridin-2-yl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCC(C(F)(F)F)OC(=O)N2CCC3(CC2)CC(C3)OC4=NC=C(C=C4)C(F)F

DOS

IR

Vibrations