Geometry & MOs

Info

ID:	442753
PubChem CID:	135256097
Reduced:	N4H10C11 (2)
Stoich.:	A4B10C11 (2)
Weight, g/mol:	426.137811
ΔH_f, kcal/mol:	170.13
Dipole, Da:	6.81
IP(EA), eV:	-9.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2-[5-(trifluoromethyl)pyridin-2-yl]-7-azaspiro[3.5]nonane-7-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NC(=CC=C1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)N

DOS

IR

Vibrations