Geometry & MOs

Info

ID:	442751
PubChem CID:	135256095
Reduced:	O2N9C27H27 (1)
Stoich.:	A2B9C27D27 (1)
Weight, g/mol:	426.137811
ΔH_f, kcal/mol:	88.06
Dipole, Da:	5.05
IP(EA), eV:	-9.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2-[6-(trifluoromethyl)pyridin-3-yl]-7-azaspiro[3.5]nonane-7-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)N)N5CCCC[C@H]5C(=O)O

DOS

IR

Vibrations