Geometry & MOs

Info

ID:

169155

PubChem CID:

75068305

Reduced:

N3O3C31H38 (1)

Stoich.:

A3B3C31D38 (1)

Weight, g/mol:

499.199523

ΔHf, kcal/mol:

-8.61

Dipole, Da:

7.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.038298

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[[2-[5-(difluoromethyl)pyridin-3-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyridin-2-yl]-1-(3,4-difluorophenyl)-N-ethoxymethanimine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)(C(=O)OC2C[N+]3(CCC2CC3)CC4=NOC(=C4)C5=CC=CC=C5)N6CCCCC6

DOS

IR

Vibrations