Geometry & MOs

Info

ID:

161220

PubChem CID:

57391075

Reduced:

F2N3O4C31H41 (1)

Stoich.:

A2B3C4D31E41 (1)

Weight, g/mol:

497.20386

ΔHf, kcal/mol:

-277.04

Dipole, Da:

6.26

IP(EA), eV:

 -9.23(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-pyridazin-3-yl-2-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]-7-azaspiro[3.5]nonane-7-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@H]1CCN(C1=O)[C@@H](CCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)[C@@H]([C@H]4C[C@@H](CN4)O)O

DOS

IR

Vibrations